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

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

InChI

InChI=1S/C18H21N3O3S/c1-4-10-21-12(2)15(17(22)23-3)16(20-18(21)25)13-5-7-14(8-6-13)24-11-9-19/h5-8,16H,4,10-11H2,1-3H3,(H,20,25)/t16-/m1/s1