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

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo-(phenethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C23H20N4O8S MolecularWeight: 512.4919

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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)NCCC3=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)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H20N4O8S/c1-13-18(23(30)35-2)22(36-19(13)21(29)24-9-8-14-6-4-3-5-7-14)25-20(28)15-10-16(26(31)32)12-17(11-15)27(33)34/h3-7,10-12H,8-9H2,1-2H3,(H,24,29)(H,25,28)