methyl 3-methylsulfanylnaphthalene-1-carboxylate

Systemtic Name: methyl 3-methylsulfanylnaphthalene-1-carboxylate Openeye Name: methyl 3-methylsulfanylnaphthalene-1-carboxylate CAS Name: 3-(methylthio)-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-methylsulfanylnaphthalene-1-carboxylate Traditional Name: 3-(methylthio)naphthalene-1-carboxylic acid methyl ester Formula: C13H12O2S MolecularWeight: 232.29818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=CC=CC=C21)SC

Isomeric SMILES

COC(=O)C1=CC(=CC2=CC=CC=C21)SC

InChI

InChI=1S/C13H12O2S/c1-15-13(14)12-8-10(16-2)7-9-5-3-4-6-11(9)12/h3-8H,1-2H3