methyl 2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]acetic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC)C#N)C3=C(C=CC(=C3)OC)OC

InChI

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