[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H19N3O4S/c1-12-8-13(2)20-18(19-12)26-11-17(24)25-10-16(23)21-15(22)9-14-6-4-3-5-7-14/h3-8H,9-11H2,1-2H3,(H,21,22,23)