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

Systemtic Name: 2-methylpropyl (4S)-4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4S)-4-(3,4-diethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-4-(3,4-diethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-diethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC(C)C)OCC

InChI

InChI=1S/C20H28N2O4S/c1-6-24-15-9-8-14(10-16(15)25-7-2)18-17(13(5)21-20(27)22-18)19(23)26-11-12(3)4/h8-10,12,18H,6-7,11H2,1-5H3,(H2,21,22,27)/t18-/m0/s1