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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3)C

InChI

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