(4-methylsulfanylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C18H18O2S2 MolecularWeight: 330.46432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=CC=C(C=C3)SC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=CC=C(C=C3)SC)C=C1

InChI

InChI=1S/C18H18O2S2/c1-12-3-6-14-10-17(22-16(14)9-12)18(19)20-11-13-4-7-15(21-2)8-5-13/h3-9,17H,10-11H2,1-2H3