methyl (4E)-4-(4-chlorophenyl)carbonyloxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: methyl (4E)-4-(4-chlorophenyl)carbonyloxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl (4E)-4-(4-chlorobenzoyl)oxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: (4E)-4-[(4-chlorophenyl)-oxomethoxy]imino-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl (4E)-4-(4-chlorobenzoyl)oxyimino-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: (4E)-4-(4-chlorobenzoyl)oximino-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C20H20ClNO4S2 MolecularWeight: 437.9601

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=NOC(=O)C3=CC=C(C=C3)Cl)C1)SC)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2/C(=N/OC(=O)C3=CC=C(C=C3)Cl)/C1)SC)C(=O)OC)C

InChI

InChI=1S/C20H20ClNO4S2/c1-20(2)9-13-15(19(27-4)28-16(13)18(24)25-3)14(10-20)22-26-17(23)11-5-7-12(21)8-6-11/h5-8H,9-10H2,1-4H3/b22-14+