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

Systemtic Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-3-21-15(20)13-10(2)18-16(23)19-14(13)11-4-6-12(7-5-11)22-9-8-17/h4-7,14H,3,9H2,1-2H3,(H2,18,19,23)/t14-/m1/s1