methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 5-(benzylcarbamoyl)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamoyl)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H18ClN3O6S/c1-12-17(22(29)32-2)21(25-19(27)14-8-9-15(23)16(10-14)26(30)31)33-18(12)20(28)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,24,28)(H,25,27)