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

Systemtic Name: 2-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-phenylcarbamate Openeye Name: 2-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophen-1-yl)sulfanyl]ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic 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 N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-[(3-cyano-7-keto-5,5-dimethyl-4,6-dihydroisobenzothiophen-1-yl)thio]ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C20H20N2O3S2/c1-20(2)10-14-16(12-21)27-18(17(14)15(23)11-20)26-9-8-25-19(24)22-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,22,24)