ethyl 4-(4-ethoxyphenyl)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-methyl-3-nitro-benzoyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-4-30-17-10-8-15(9-11-17)18-13-32-22(20(18)23(27)31-5-2)24-21(26)16-7-6-14(3)19(12-16)25(28)29/h6-13H,4-5H2,1-3H3,(H,24,26)