methyl 7-(3-chlorophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate

Systemtic Name: methyl 7-(3-chlorophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Openeye Name: methyl 7-(3-chlorophenyl)-5-methylsulfanyl-2,3-dihydrobenzothiophene-4-carboxylate CAS Name: 7-(3-chlorophenyl)-5-(methylthio)-2,3-dihydro-1-benzothiophene-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(3-chlorophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Traditional Name: 7-(3-chlorophenyl)-5-(methylthio)-2,3-dihydrobenzothiophene-4-carboxylic acid methyl ester Formula: C17H15ClO2S2 MolecularWeight: 350.8828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CC(=CC=C3)Cl)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C17H15ClO2S2/c1-20-17(19)15-12-6-7-22-16(12)13(9-14(15)21-2)10-4-3-5-11(18)8-10/h3-5,8-9H,6-7H2,1-2H3