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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OCC)C

InChI

InChI=1S/C18H21N3O3S/c1-4-21-12(3)15(17(22)23-5-2)16(20-18(21)25)13-6-8-14(9-7-13)24-11-10-19/h6-9,16H,4-5,11H2,1-3H3,(H,20,25)/t16-/m1/s1