methyl 2-(3-naphthalen-2-ylprop-2-ynylsulfanyl)benzoate

Systemtic Name: methyl 2-(3-naphthalen-2-ylprop-2-ynylsulfanyl)benzoate Openeye Name: methyl 2-[3-(2-naphthyl)prop-2-ynylsulfanyl]benzoate CAS Name: 2-[3-(2-naphthalenyl)prop-2-ynylthio]benzoic acid methyl ester IUPAC Name: methyl 2-(3-naphthalen-2-ylprop-2-ynylsulfanyl)benzoate Traditional Name: 2-[3-(2-naphthyl)prop-2-ynylthio]benzoic acid methyl ester Formula: C21H16O2S MolecularWeight: 332.41554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC#CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC#CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H16O2S/c1-23-21(22)19-10-4-5-11-20(19)24-14-6-7-16-12-13-17-8-2-3-9-18(17)15-16/h2-5,8-13,15H,14H2,1H3