ethyl 2-[(3-chlorophenyl)carbonylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)carbonylamino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzoyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorobenzoyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzoyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H17ClN2O5S/c1-3-29-21(26)18-17(13-7-9-16(10-8-13)24(27)28)12(2)30-20(18)23-19(25)14-5-4-6-15(22)11-14/h4-11H,3H2,1-2H3,(H,23,25)