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

Systemtic Name: (phenylmethyl) (4R)-4-(4-hexoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)[C@@H]2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H32N2O4S/c1-4-5-6-10-15-31-21-14-13-20(16-22(21)30-3)24-23(18(2)27-26(33)28-24)25(29)32-17-19-11-8-7-9-12-19/h7-9,11-14,16,24H,4-6,10,15,17H2,1-3H3,(H2,27,28,33)/t24-/m1/s1