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

Systemtic Name: methyl (4E)-4-[(4-chlorophenyl)carbamoyloxyimino]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl (4E)-4-[(4-chlorophenyl)carbamoyloxyimino]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: (4E)-4-[(4-chloroanilino)-oxomethoxy]imino-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[(4-chlorophenyl)carbamoyloxyimino]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: (4E)-4-[(4-chlorophenyl)carbamoyloximino]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=NOC(=O)NC3=CC=C(C=C3)Cl)C1)SC)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2/C(=N/OC(=O)NC3=CC=C(C=C3)Cl)/C1)SC)C(=O)OC)C

InChI

InChI=1S/C20H21ClN2O4S2/c1-20(2)9-13-15(18(28-4)29-16(13)17(24)26-3)14(10-20)23-27-19(25)22-12-7-5-11(21)6-8-12/h5-8H,9-10H2,1-4H3,(H,22,25)/b23-14+