Name: Name:ETHYL 2-ACETAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
Brand: Angene
SKU: AG00ED9M
Rating: 90 (10 reviews)

ETHYL 2-ACETAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE

CAS No.:

5919-29-9

Catalog Number:

AG00ED9M

Molecular Formula:

C13H17NO3S

Molecular Weight:

267.3440

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Product Description

Catalog Number:

AG00ED9M

Chemical Name:

ETHYL 2-ACETAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE

CAS Number:

5919-29-9

Molecular Formula:

C13H17NO3S

Molecular Weight:

267.3440

MDL Number:

MFCD00087275

IUPAC Name:

ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI:

InChI=1S/C13H17NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h3-7H2,1-2H3,(H,14,15)

InChI Key:

MYGDFSFTVVUJHF-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(NC(=O)C)sc2c1CCCC2

NSC Number:

158556

Properties

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.343g/mol

Monoisotopic Mass:

267.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Ethyl 2-benzamido-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20101001

Properties