2-methylpropyl (4R)-4-[4-(cyanomethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)OCC#N)C(=O)OCC(C)C

InChI

InChI=1S/C18H21N3O3S/c1-11(2)10-24-17(22)15-12(3)20-18(25)21-16(15)13-4-6-14(7-5-13)23-9-8-19/h4-7,11,16H,9-10H2,1-3H3,(H2,20,21,25)/t16-/m1/s1