methyl 3-cyano-2-methylsulfanyl-naphthalene-1-carboxylate

Systemtic Name: methyl 3-cyano-2-methylsulfanyl-naphthalene-1-carboxylate Openeye Name: methyl 3-cyano-2-methylsulfanyl-naphthalene-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-methylsulfanylnaphthalene-1-carboxylate Traditional Name: 3-cyano-2-(methylthio)naphthalene-1-carboxylic acid methyl ester Formula: C14H11NO2S MolecularWeight: 257.30764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC2=CC=CC=C21)C#N)SC

Isomeric SMILES

COC(=O)C1=C(C(=CC2=CC=CC=C21)C#N)SC

InChI

InChI=1S/C14H11NO2S/c1-17-14(16)12-11-6-4-3-5-9(11)7-10(8-15)13(12)18-2/h3-7H,1-2H3