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

Systemtic Name: ethyl 7-(4-chlorophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Openeye Name: ethyl 7-(4-chlorophenyl)-5-methylsulfanyl-2,3-dihydrobenzothiophene-4-carboxylate CAS Name: 7-(4-chlorophenyl)-5-(methylthio)-2,3-dihydro-1-benzothiophene-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-chlorophenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Traditional Name: 7-(4-chlorophenyl)-5-(methylthio)-2,3-dihydrobenzothiophene-4-carboxylic acid ethyl ester Formula: C18H17ClO2S2 MolecularWeight: 364.90938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO2S2/c1-3-21-18(20)16-13-8-9-23-17(13)14(10-15(16)22-2)11-4-6-12(19)7-5-11/h4-7,10H,3,8-9H2,1-2H3