prop-2-enyl (4R)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl (4R)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl (4R)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-butoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-4-(4-butoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC=C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2C(=C(NC(=S)N2)C)C(=O)OCC=C)OC

InChI

InChI=1S/C20H26N2O4S/c1-5-7-11-25-15-9-8-14(12-16(15)24-4)18-17(19(23)26-10-6-2)13(3)21-20(27)22-18/h6,8-9,12,18H,2,5,7,10-11H2,1,3-4H3,(H2,21,22,27)/t18-/m1/s1