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

Systemtic Name: ethyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4R)-4-[4-(cyanomethoxy)phenyl]-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-4-25-18(24)17(23)14-15(11(2)3)21-19(27)22-16(14)12-5-7-13(8-6-12)26-10-9-20/h5-8,11,16H,4,10H2,1-3H3,(H2,21,22,27)/t16-/m1/s1