2-methylpropyl (4R)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4R)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4R)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4R)-4-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC(C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)[C@@H]2C(=C(NC(=S)N2)C)C(=O)OCC(C)C)OC

InChI

InChI=1S/C23H34N2O4S/c1-6-7-8-9-12-28-18-11-10-17(13-19(18)27-5)21-20(16(4)24-23(30)25-21)22(26)29-14-15(2)3/h10-11,13,15,21H,6-9,12,14H2,1-5H3,(H2,24,25,30)/t21-/m1/s1