ethyl 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-cyano-3-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-cyano-3-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-cyano-3-phenyl-thiophene-2-carboxylate CAS Name: 5-[2-(4-chlorophenyl)sulfonylethylthio]-4-cyano-3-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-cyano-3-phenylthiophene-2-carboxylate Traditional Name: 5-[2-(4-chlorophenyl)sulfonylethylthio]-4-cyano-3-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H18ClNO4S3 MolecularWeight: 492.03062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H18ClNO4S3/c1-2-28-21(25)20-19(15-6-4-3-5-7-15)18(14-24)22(30-20)29-12-13-31(26,27)17-10-8-16(23)9-11-17/h3-11H,2,12-13H2,1H3