ethyl (5R)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-methylsulfanyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl (5R)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-methylsulfanyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5R)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5R)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-(methylthio)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5R)-5-(1,3-benzodioxol-5-yl)-4-keto-7-methyl-2-(methylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)N=C(N2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C([C@H]1C3=CC4=C(C=C3)OCO4)C(=O)N=C(N2)SC)C

InChI

InChI=1S/C19H19N3O5S/c1-4-25-18(24)13-9(2)20-16-15(17(23)22-19(21-16)28-3)14(13)10-5-6-11-12(7-10)27-8-26-11/h5-7,14H,4,8H2,1-3H3,(H2,20,21,22,23)/t14-/m0/s1