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

Systemtic Name: pentyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCCC)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=CC=C2OCCC)C

InChI

InChI=1S/C20H28N2O3S/c1-4-6-9-13-25-19(23)17-14(3)21-20(26)22-18(17)15-10-7-8-11-16(15)24-12-5-2/h7-8,10-11,18H,4-6,9,12-13H2,1-3H3,(H2,21,22,26)/t18-/m1/s1