methyl 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenyl-acetate CAS Name: 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenylacetate Traditional Name: 2-[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]butanoylamino]-2-phenyl-acetic acid methyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H22N4O4S/c1-3-18(22(30)26-20(23(31)32-2)16-12-8-5-9-13-16)33-24-27-19(15-10-6-4-7-11-15)17(14-25)21(29)28-24/h4-13,18,20H,3H2,1-2H3,(H,26,30)(H,27,28,29)