Name: Name:Ethyl 4-(4-chlorophenyl)-2-[2-(4-nitrophenoxy)acetamido]thiophene-3-carboxylate
Brand: Angene
SKU: AG01F40Y
Rating: 90 (10 reviews)

Ethyl 4-(4-chlorophenyl)-2-[2-(4-nitrophenoxy)acetamido]thiophene-3-carboxylate

CAS No.:

374598-53-5

Catalog Number:

AG01F40Y

Molecular Formula:

C21H17ClN2O6S

Molecular Weight:

460.8875

Catalog Number:

AG01F40Y

Chemical Name:

Ethyl 4-(4-chlorophenyl)-2-[2-(4-nitrophenoxy)acetamido]thiophene-3-carboxylate

CAS Number:

374598-53-5

Molecular Formula:

C21H17ClN2O6S

Molecular Weight:

460.8875

MDL Number:

MFCD01957819

IUPAC Name:

ethyl 4-(4-chlorophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate

InChI:

InChI=1S/C21H17ClN2O6S/c1-2-29-21(26)19-17(13-3-5-14(22)6-4-13)12-31-20(19)23-18(25)11-30-16-9-7-15(8-10-16)24(27)28/h3-10,12H,2,11H2,1H3,(H,23,25)

InChI Key:

ZWNOHPAQJOHCFB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)COc1ccc(cc1)[N+](=O)[O-]

Complexity:

632

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

460.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

460.885g/mol

Monoisotopic Mass:

460.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

139A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7