ethyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-butoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-4-6-11-23-14-9-7-13(8-10-14)16-15(17(21)22-5-2)12(3)19-18(24)20-16/h7-10,16H,4-6,11H2,1-3H3,(H2,19,20,24)/t16-/m0/s1