methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-[(phenylmethyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 5-(benzylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(benzylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(benzylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18N4O8S MolecularWeight: 498.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O8S/c1-12-17(22(29)34-2)21(35-18(12)20(28)23-11-13-6-4-3-5-7-13)24-19(27)14-8-15(25(30)31)10-16(9-14)26(32)33/h3-10H,11H2,1-2H3,(H,23,28)(H,24,27)