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

Systemtic Name: methyl 4-methyl-2-[(4-methylphenyl)carbonylamino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-(p-toluoylamino)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)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C(=O)OC

InChI

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