(phenylmethyl) 6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: (phenylmethyl) 6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: benzyl 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carboxylic acid benzyl ester Formula: C19H20O3S2 MolecularWeight: 360.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C19H20O3S2/c1-19(2)9-13-15(14(20)10-19)18(23-3)24-16(13)17(21)22-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3