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

Systemtic Name: methyl 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Openeye Name: methyl 5-methylsulfanyl-7-(p-tolyl)-2,3-dihydrobenzothiophene-4-carboxylate CAS Name: 7-(4-methylphenyl)-5-(methylthio)-2,3-dihydro-1-benzothiophene-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-methylphenyl)-5-methylsulfanyl-2,3-dihydro-1-benzothiophene-4-carboxylate Traditional Name: 5-(methylthio)-7-(p-tolyl)-2,3-dihydrobenzothiophene-4-carboxylic acid methyl ester Formula: C18H18O2S2 MolecularWeight: 330.46432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=C2SCC3)C(=O)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C3=C2SCC3)C(=O)OC)SC

InChI

InChI=1S/C18H18O2S2/c1-11-4-6-12(7-5-11)14-10-15(21-3)16(18(19)20-2)13-8-9-22-17(13)14/h4-7,10H,8-9H2,1-3H3