methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo-(1-phenylethylamino)methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)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)NC(C)C3=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)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C23H20N4O8S/c1-12-18(23(30)35-3)22(36-19(12)21(29)24-13(2)14-7-5-4-6-8-14)25-20(28)15-9-16(26(31)32)11-17(10-15)27(33)34/h4-11,13H,1-3H3,(H,24,29)(H,25,28)