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

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-4-ethyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC#N)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)OCC#N)C(=O)OC

InChI

InChI=1S/C22H21N3O3S/c1-3-18-19(21(26)27-2)20(15-9-11-17(12-10-15)28-14-13-23)24-22(29)25(18)16-7-5-4-6-8-16/h4-12,20H,3,14H2,1-2H3,(H,24,29)/t20-/m1/s1