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

Systemtic Name: methyl (4S)-4-(4-butoxy-3-ethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(4-butoxy-3-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butoxy-3-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-butoxy-3-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butoxy-3-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-5-7-10-25-14-9-8-13(11-15(14)24-6-2)17-16(18(22)23-4)12(3)20-19(26)21-17/h8-9,11,17H,5-7,10H2,1-4H3,(H2,20,21,26)/t17-/m0/s1