methyl 6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isothiochromene-5-carboxylate

Systemtic Name: methyl 6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isothiochromene-5-carboxylate Openeye Name: methyl 6-methylsulfanyl-8-(2-naphthyl)isothiochromane-5-carboxylate CAS Name: 6-(methylthio)-8-(2-naphthalenyl)-3,4-dihydro-1H-2-benzothiopyran-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfanyl-8-naphthalen-2-yl-3,4-dihydro-1H-isothiochromene-5-carboxylate Traditional Name: 6-(methylthio)-8-(2-naphthyl)isothiochroman-5-carboxylic acid methyl ester Formula: C22H20O2S2 MolecularWeight: 380.523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC4=CC=CC=C4C=C3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC4=CC=CC=C4C=C3)SC

InChI

InChI=1S/C22H20O2S2/c1-24-22(23)21-17-9-10-26-13-19(17)18(12-20(21)25-2)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11-12H,9-10,13H2,1-2H3