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

Systemtic Name: methyl 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(2,3-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/c1-24-9-8-16-15(11-24)19(13-6-5-7-17(26-2)20(13)28-4)14(10-22)21(23-16)29-12-18(25)27-3/h5-7H,8-9,11-12H2,1-4H3