methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(C=C2)OCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-27-20(26)19(25)16-17(13-5-3-2-4-6-13)23-21(29)24-18(16)14-7-9-15(10-8-14)28-12-11-22/h2-10,18H,12H2,1H3,(H2,23,24,29)/t18-/m1/s1