2-[(3-ethanoyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 4-chloranylbenzenesulfonate

Systemtic Name: 2-[(3-ethanoyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 4-chloranylbenzenesulfonate Openeye Name: 2-[(3-acetyl-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 2-[(3-acetyl-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)thio]ethyl ester IUPAC Name: 2-[(3-acetyl-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 2-[(3-acetyl-7-keto-5,5-dimethyl-4,6-dihydroisobenzothiophen-1-yl)thio]ethyl ester Formula: C20H21ClO5S3 MolecularWeight: 473.02574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCOS(=O)(=O)C3=CC=C(C=C3)Cl)(C)C

Isomeric SMILES

CC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCOS(=O)(=O)C3=CC=C(C=C3)Cl)(C)C

InChI

InChI=1S/C20H21ClO5S3/c1-12(22)18-15-10-20(2,3)11-16(23)17(15)19(28-18)27-9-8-26-29(24,25)14-6-4-13(21)5-7-14/h4-7H,8-11H2,1-3H3