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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C22H18N4O8S/c1-11-5-4-6-14(7-11)23-20(28)18-12(2)17(22(29)34-3)21(35-18)24-19(27)13-8-15(25(30)31)10-16(9-13)26(32)33/h4-10H,1-3H3,(H,23,28)(H,24,27)