methyl 6-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]hexanoate

Systemtic Name: methyl 6-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]hexanoate Openeye Name: methyl 6-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]hexanoate CAS Name: 6-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]hexanoate Traditional Name: 6-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoylamino]hexanoic acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C19H28N2O4S/c1-14-8-10-16(11-9-14)21-17(22)13-26-15(2)19(24)20-12-6-4-5-7-18(23)25-3/h8-11,15H,4-7,12-13H2,1-3H3,(H,20,24)(H,21,22)