[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3CC3

InChI

InChI=1S/C21H22N2O4S/c1-14-6-8-15(9-7-14)23-20(25)13-28-18-5-3-2-4-17(18)21(26)27-12-19(24)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,24)(H,23,25)