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

Systemtic Name: 2-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 2-chloranylbenzoate Openeye Name: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)thio]ethyl ester IUPAC Name: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 2-[(3-cyano-7-keto-5,5-dimethyl-4,6-dihydroisobenzothiophen-1-yl)thio]ethyl ester Formula: C20H18ClNO3S2 MolecularWeight: 419.94482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3=CC=CC=C3Cl)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3=CC=CC=C3Cl)C#N)C

InChI

InChI=1S/C20H18ClNO3S2/c1-20(2)9-13-16(11-22)27-19(17(13)15(23)10-20)26-8-7-25-18(24)12-5-3-4-6-14(12)21/h3-6H,7-10H2,1-2H3