ethyl 4-methyl-2-[(4-nitrophenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-nitrophenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(4-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O6S/c1-3-31-22(28)17-13(2)18(20(27)23-15-7-5-4-6-8-15)32-21(17)24-19(26)14-9-11-16(12-10-14)25(29)30/h4-12H,3H2,1-2H3,(H,23,27)(H,24,26)