[cyano-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]methyl] 3-methyl-2-naphthalen-2-yl-butanoate

Systemtic Name: [cyano-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]methyl] 3-methyl-2-naphthalen-2-yl-butanoate Openeye Name: [cyano-[6-(4-methylsulfanylphenoxy)-2-pyridyl]methyl] 3-methyl-2-(2-naphthyl)butanoate CAS Name: 3-methyl-2-(2-naphthalenyl)butanoic acid [cyano-[6-[4-(methylthio)phenoxy]-2-pyridinyl]methyl] ester IUPAC Name: [cyano-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]methyl] 3-methyl-2-naphthalen-2-ylbutanoate Traditional Name: 3-methyl-2-(2-naphthyl)butyric acid [cyano-[6-[4-(methylthio)phenoxy]-2-pyridyl]methyl] ester Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=CC=CC=C2C=C1)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)C(C1=CC2=CC=CC=C2C=C1)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=C(C=C4)SC

InChI

InChI=1S/C29H26N2O3S/c1-19(2)28(22-12-11-20-7-4-5-8-21(20)17-22)29(32)34-26(18-30)25-9-6-10-27(31-25)33-23-13-15-24(35-3)16-14-23/h4-17,19,26,28H,1-3H3