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

Systemtic Name: methyl 4-methyl-2-(2-methylpropanoylamino)-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-(2-methylpropanoylamino)-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 4-methyl-2-[(2-methyl-1-oxopropyl)amino]-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(2-methylpropanoylamino)-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-9(2)15(22)20-17-13(18(24)27-4)10(3)14(28-17)16(23)19-11-6-5-7-12(8-11)21(25)26/h5-9H,1-4H3,(H,19,23)(H,20,22)