methyl 2-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-7-keto-5,5-dimethyl-4,6-dihydroisobenzothiophen-1-yl)thio]acetic acid methyl ester Formula: C14H15NO3S2 MolecularWeight: 309.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCC(=O)OC)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCC(=O)OC)C#N)C

InChI

InChI=1S/C14H15NO3S2/c1-14(2)4-8-10(6-15)20-13(12(8)9(16)5-14)19-7-11(17)18-3/h4-5,7H2,1-3H3