Name: Name:α-[(Aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzenepropanoic Acid Ethyl Ester
Brand: Angene
SKU: AG004LWB
Rating: 90 (10 reviews)

α-[(Aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzenepropanoic Acid Ethyl Ester

CAS No.:

868754-41-0

Catalog Number:

AG004LWB

Molecular Formula:

C21H26N2O4S

Molecular Weight:

402.5071

Catalog Number:

AG004LWB

Chemical Name:

α-[(Aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzenepropanoic Acid Ethyl Ester

CAS Number:

868754-41-0

Molecular Formula:

C21H26N2O4S

Molecular Weight:

402.5071

MDL Number:

MFCD16293754

IUPAC Name:

ethyl 2-carbamoylsulfanyl-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate

InChI:

InChI=1S/C21H26N2O4S/c1-3-15-5-8-17(23-14-15)11-12-27-18-9-6-16(7-10-18)13-19(28-21(22)25)20(24)26-4-2/h5-10,14,19H,3-4,11-13H2,1-2H3,(H2,22,25)

InChI Key:

ITXRIKOYRWVLAY-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(Cc1ccc(cc1)OCCc1ccc(cn1)CC)SC(=O)N

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.161g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.509g/mol

Monoisotopic Mass:

402.161g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1