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

Systemtic Name: methyl 2-(2-chloranylethanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloroacetyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4-methyl-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloroacetyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-[(2-chloroacetyl)amino]-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid methyl ester Formula: C16H14ClN3O6S MolecularWeight: 411.81686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O6S/c1-8-12(16(23)26-2)15(19-11(21)7-17)27-13(8)14(22)18-9-4-3-5-10(6-9)20(24)25/h3-6H,7H2,1-2H3,(H,18,22)(H,19,21)