[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H12ClNO3S2 MolecularWeight: 413.89718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H12ClNO3S2/c21-19-10-9-18(27-19)15(23)12-25-20(24)14-6-2-4-8-17(14)26-16-7-3-1-5-13(16)11-22/h1-10H,12H2