[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C20H23NO4S2/c1-14-4-6-15(7-5-14)27-11-10-21-19(22)13-25-20(23)17-9-8-16(26-3)12-18(17)24-2/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)