ethyl 6,6-dimethyl-4-oxidanylidene-3-propan-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-propan-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-isopropylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-(propan-2-ylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dimethyl-4-oxo-3-propan-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-(isopropylthio)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C16H22O3S2 MolecularWeight: 326.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC(C)C)(C)C

InChI

InChI=1S/C16H22O3S2/c1-6-19-14(18)13-10-7-16(4,5)8-11(17)12(10)15(21-13)20-9(2)3/h9H,6-8H2,1-5H3