ethyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(2-phenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-[(3-nitroanilino)-oxomethyl]-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O6S/c1-3-32-23(29)19-14(2)20(21(28)24-16-10-7-11-17(13-16)26(30)31)33-22(19)25-18(27)12-15-8-5-4-6-9-15/h4-11,13H,3,12H2,1-2H3,(H,24,28)(H,25,27)