ethyl (6R)-3,4-dimethyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3,4-dimethyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(3-allyloxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3,4-dimethyl-6-(3-prop-2-enoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-allyloxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)OCC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=CC=C2)OCC=C)C)C

InChI

InChI=1S/C18H22N2O3S/c1-5-10-23-14-9-7-8-13(11-14)16-15(17(21)22-6-2)12(3)20(4)18(24)19-16/h5,7-9,11,16H,1,6,10H2,2-4H3,(H,19,24)/t16-/m1/s1