methyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OC

Isomeric SMILES

CC(C)C1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OC

InChI

InChI=1S/C17H19N3O3S/c1-10(2)14-13(16(21)22-3)15(20-17(24)19-14)11-4-6-12(7-5-11)23-9-8-18/h4-7,10,15H,9H2,1-3H3,(H2,19,20,24)/t15-/m1/s1