phenyl 6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: phenyl 6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C18H18O3S2 MolecularWeight: 346.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C18H18O3S2/c1-18(2)9-12-14(13(19)10-18)17(22-3)23-15(12)16(20)21-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3