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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OC

InChI

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