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3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1-ethanoyl-6,7-dihydro-5H-2-benzothiophen-4-one

3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1-ethanoyl-6,7-dihydro-5H-2-benzothiophen-4-one

Systemtic Name:3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1-ethanoyl-6,7-dihydro-5H-2-benzothiophen-4-one
Openeye Name:1-acetyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6,7-dihydro-5H-2-benzothiophen-4-one
CAS Name:1-acetyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-6,7-dihydro-5H-2-benzothiophen-4-one
IUPAC Name:1-acetyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6,7-dihydro-5H-2-benzothiophen-4-one
Traditional Name:1-acetyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-6,7-dihydro-5H-isobenzothiophen-4-one
Formula: C18H17ClO4S3
MolecularWeight: 428.97318
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H17ClO4S3/c1-11(20)17-14-3-2-4-15(21)16(14)18(25-17)24-9-10-26(22,23)13-7-5-12(19)6-8-13/h5-8H,2-4,9-10H2,1H3


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