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

Systemtic Name: 2-methylpropyl (4S)-4-(4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (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 2-methylpropyl ester IUPAC Name: 2-methylpropyl (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 isobutyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-5-6-11-24-16-9-7-15(8-10-16)18-17(14(4)21-20(26)22-18)19(23)25-12-13(2)3/h7-10,13,18H,5-6,11-12H2,1-4H3,(H2,21,22,26)/t18-/m0/s1