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

Systemtic Name: methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-2-sulfanylidene-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-(2-thienyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-2-sulfanylidene-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-2-sulfanylidene-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-(2-thienyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid methyl ester Formula: C19H15N3O4S2 MolecularWeight: 413.4701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC#N)C3=CC=CS3

Isomeric SMILES

COC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(C=C2)OCC#N)C3=CC=CS3

InChI

InChI=1S/C19H15N3O4S2/c1-25-18(24)17(23)14-15(11-4-6-12(7-5-11)26-9-8-20)21-19(27)22-16(14)13-3-2-10-28-13/h2-7,10,15H,9H2,1H3,(H2,21,22,27)/t15-/m1/s1