methyl 4-(4-methylphenyl)-2-[2-(4-nitrophenyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-(4-nitrophenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-nitrophenyl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-nitrophenyl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-13-3-7-15(8-4-13)17-12-29-20(19(17)21(25)28-2)22-18(24)11-14-5-9-16(10-6-14)23(26)27/h3-10,12H,11H2,1-2H3,(H,22,24)