naphthalen-1-ylmethyl 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: naphthalen-1-ylmethyl 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 1-naphthylmethyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetic acid 1-naphthylmethyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)OCC2=CC=CC3=CC=CC=C32)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)OCC2=CC=CC3=CC=CC=C32)C#N)C(=O)C

InChI

InChI=1S/C22H18N2O3S/c1-14-20(15(2)25)10-18(11-23)22(24-14)28-13-21(26)27-12-17-8-5-7-16-6-3-4-9-19(16)17/h3-10H,12-13H2,1-2H3