pentyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: pentyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-o-phenetyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=CC=C2OCC)C

InChI

InChI=1S/C19H26N2O3S/c1-4-6-9-12-24-18(22)16-13(3)20-19(25)21-17(16)14-10-7-8-11-15(14)23-5-2/h7-8,10-11,17H,4-6,9,12H2,1-3H3,(H2,20,21,25)/t17-/m1/s1