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

Systemtic Name: (phenylmethyl) 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]acetic acid benzyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CN1CCC2=C(C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H19N3O2S/c1-22-8-7-17-16(11-22)9-15(10-20)19(21-17)25-13-18(23)24-12-14-5-3-2-4-6-14/h2-6,9H,7-8,11-13H2,1H3