methyl (6R)-3-butyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-butyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-butyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-butyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-butyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-butyl-6-[4-(cyanomethoxy)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

InChI

InChI=1S/C19H23N3O3S/c1-4-5-11-22-13(2)16(18(23)24-3)17(21-19(22)26)14-6-8-15(9-7-14)25-12-10-20/h6-9,17H,4-5,11-12H2,1-3H3,(H,21,26)/t17-/m1/s1