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

Systemtic Name: methyl (4S)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OC

InChI

InChI=1S/C15H15N3O3S/c1-9-12(14(19)20-2)13(18-15(22)17-9)10-3-5-11(6-4-10)21-8-7-16/h3-6,13H,8H2,1-2H3,(H2,17,18,22)/t13-/m0/s1