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

Systemtic Name: (phenylmethyl) (4R)-4-(3-methoxy-4-pentoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4R)-4-(3-methoxy-4-pentoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-(3-methoxy-4-pentoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-amoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[C@@H]2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H30N2O4S/c1-4-5-9-14-30-20-13-12-19(15-21(20)29-3)23-22(17(2)26-25(32)27-23)24(28)31-16-18-10-7-6-8-11-18/h6-8,10-13,15,23H,4-5,9,14,16H2,1-3H3,(H2,26,27,32)/t23-/m1/s1