methyl (4R)-4-(3,4-dimethoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(3,4-dimethoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(3,4-dimethoxyphenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3,4-dimethoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3,4-dimethoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3,4-dimethoxyphenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H22N2O4S/c1-5-6-11-14(16(20)23-4)15(19-17(24)18-11)10-7-8-12(21-2)13(9-10)22-3/h7-9,15H,5-6H2,1-4H3,(H2,18,19,24)/t15-/m1/s1