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

Systemtic Name: prop-2-enyl (4R)-4-(4-butoxy-3-ethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl (4R)-4-(4-butoxy-3-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-butoxy-3-ethoxyphenyl)-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-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-butoxy-3-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-5-8-12-26-16-10-9-15(13-17(16)25-7-3)19-18(20(24)27-11-6-2)14(4)22-21(28)23-19/h6,9-10,13,19H,2,5,7-8,11-12H2,1,3-4H3,(H2,22,23,28)/t19-/m1/s1