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

Systemtic Name: methyl (4S)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-butoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-5-6-9-24-13-8-7-12(10-14(13)22-3)16-15(17(21)23-4)11(2)19-18(25)20-16/h7-8,10,16H,5-6,9H2,1-4H3,(H2,19,20,25)/t16-/m0/s1