ethyl 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 3-[2-(4-chlorophenyl)sulfonylethylthio]-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C19H19ClO5S3 MolecularWeight: 458.99916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClO5S3/c1-2-25-18(22)17-14-4-3-5-15(21)16(14)19(27-17)26-10-11-28(23,24)13-8-6-12(20)7-9-13/h6-9H,2-5,10-11H2,1H3