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

Systemtic Name: methyl (4E)-6,6-dimethyl-3-methylsulfanyl-4-(phenylcarbamoyloxyimino)-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl (4E)-6,6-dimethyl-3-methylsulfanyl-4-(phenylcarbamoyloxyimino)-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: (4E)-4-[anilino(oxo)methoxy]imino-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl (4E)-6,6-dimethyl-3-methylsulfanyl-4-(phenylcarbamoyloxyimino)-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: (4E)-6,6-dimethyl-3-(methylthio)-4-(phenylcarbamoyloximino)-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-20(2)10-13-15(18(27-4)28-16(13)17(23)25-3)14(11-20)22-26-19(24)21-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,21,24)/b22-14+