methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[2-[(4-chloroanilino)-oxomethoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylthio]-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid methyl ester Formula: C21H22ClNO5S2 MolecularWeight: 467.98608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5S2/c1-21(2)10-14-16(15(24)11-21)19(30-17(14)18(25)27-3)29-9-8-28-20(26)23-13-6-4-12(22)5-7-13/h4-7H,8-11H2,1-3H3,(H,23,26)