3-(2-chloroethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-benzothiophen-1-one

Systemtic Name: 3-(2-chloroethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-benzothiophen-1-one Openeye Name: 3-(2-chloroethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-benzothiophen-1-one CAS Name: 3-(2-chloroethylthio)-3-[(3,4-dimethoxyphenyl)methyl]-2-benzothiophen-1-one IUPAC Name: 3-(2-chloroethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-benzothiophen-1-one Traditional Name: 3-(2-chloroethylthio)-3-veratryl-isobenzothiophen-1-one Formula: C19H19ClO3S2 MolecularWeight: 394.93536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(C3=CC=CC=C3C(=O)S2)SCCCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(C3=CC=CC=C3C(=O)S2)SCCCl)OC

InChI

InChI=1S/C19H19ClO3S2/c1-22-16-8-7-13(11-17(16)23-2)12-19(24-10-9-20)15-6-4-3-5-14(15)18(21)25-19/h3-8,11H,9-10,12H2,1-2H3