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

Systemtic Name: 2-methylpropyl (4R)-4-(3-methoxy-4-pentoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (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 2-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-6-7-8-11-27-17-10-9-16(12-18(17)26-5)20-19(15(4)23-22(29)24-20)21(25)28-13-14(2)3/h9-10,12,14,20H,6-8,11,13H2,1-5H3,(H2,23,24,29)/t20-/m1/s1