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

Systemtic Name: ethyl (5S)-5-(4-chlorophenyl)-7-methyl-4-oxidanylidene-2-prop-2-enylsulfanyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5S)-2-allylsulfanyl-5-(4-chlorophenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5S)-5-(4-chlorophenyl)-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 (5S)-5-(4-chlorophenyl)-7-methyl-4-oxo-2-prop-2-enylsulfanyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5S)-2-(allylthio)-5-(4-chlorophenyl)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-4-10-28-20-23-17-16(18(25)24-20)15(12-6-8-13(21)9-7-12)14(11(3)22-17)19(26)27-5-2/h4,6-9,15H,1,5,10H2,2-3H3,(H2,22,23,24,25)/t15-/m1/s1