[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C17H12ClNO3S MolecularWeight: 345.80008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO3S/c18-13-5-3-12(4-6-13)15(20)11-22-17(21)16-14(7-10-23-16)19-8-1-2-9-19/h1-10H,11H2