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

Systemtic Name: ethyl (5R)-5-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-2-prop-2-enylsulfanyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5R)-2-allylsulfanyl-5-(4-methoxyphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5R)-5-(4-methoxyphenyl)-7-methyl-4-oxo-2-(prop-2-enylthio)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-5-(4-methoxyphenyl)-7-methyl-4-oxo-2-prop-2-enylsulfanyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5R)-2-(allylthio)-4-keto-5-(4-methoxyphenyl)-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC)C(=O)N=C(N2)SCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=C(C=C3)OC)C(=O)N=C(N2)SCC=C)C

InChI

InChI=1S/C21H23N3O4S/c1-5-11-29-21-23-18-17(19(25)24-21)16(13-7-9-14(27-4)10-8-13)15(12(3)22-18)20(26)28-6-2/h5,7-10,16H,1,6,11H2,2-4H3,(H2,22,23,24,25)/t16-/m0/s1