[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-12-16(13(2)23-19(22-12)27-3)7-8-18(25)26-11-17(24)21-10-14-5-4-6-15(20)9-14/h4-6,9H,7-8,10-11H2,1-3H3,(H,21,24)