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

Systemtic Name: phenyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]ethanoate Openeye Name: phenyl 2-[[3-cyano-4-(2-furyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-furanyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]acetic acid phenyl ester IUPAC Name: phenyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]thio]acetic acid phenyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC3=CC=CC=C3)C#N)C4=CC=CO4

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC3=CC=CC=C3)C#N)C4=CC=CO4

InChI

InChI=1S/C22H19N3O3S/c1-25-10-9-18-17(13-25)21(19-8-5-11-27-19)16(12-23)22(24-18)29-14-20(26)28-15-6-3-2-4-7-15/h2-8,11H,9-10,13-14H2,1H3