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

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=C(C=C3)OCC#N)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CC2)C3=CC=C(C=C3)OCC#N)C(=O)OC

InChI

InChI=1S/C18H19N3O3S/c1-11-15(17(22)23-2)16(20-18(25)21(11)13-5-6-13)12-3-7-14(8-4-12)24-10-9-19/h3-4,7-8,13,16H,5-6,10H2,1-2H3,(H,20,25)/t16-/m1/s1