methyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(p-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(4-methylanilino)-oxomethyl]-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(p-tolylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C

InChI

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