propan-2-yl (4S)-6-methyl-4-(4-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OC(C)C

InChI

InChI=1S/C18H24N2O3S/c1-5-10-22-14-8-6-13(7-9-14)16-15(17(21)23-11(2)3)12(4)19-18(24)20-16/h6-9,11,16H,5,10H2,1-4H3,(H2,19,20,24)/t16-/m0/s1