methyl (4R)-6-ethyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-6-ethyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(3-allyloxyphenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-ethyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-ethyl-4-(3-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-allyloxyphenyl)-6-ethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OCC=C)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1)C2=CC(=CC=C2)OCC=C)C(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-4-9-22-12-8-6-7-11(10-12)15-14(16(20)21-3)13(5-2)18-17(23)19-15/h4,6-8,10,15H,1,5,9H2,2-3H3,(H2,18,19,23)/t15-/m1/s1