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

Systemtic Name: prop-2-enyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: allyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid allyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-4-10-22-14-9-7-6-8-13(14)16-15(17(21)23-11-5-2)12(3)19-18(24)20-16/h5-9,16H,2,4,10-11H2,1,3H3,(H2,19,20,24)/t16-/m0/s1