(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18O4S/c1-24-20-12-17(26-2)9-10-18(20)21(23)25-13-19(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-12H,13H2,1-2H3