methyl 4-naphthalen-2-ylsulfanyl-5-oxidanylidene-hexanoate

Systemtic Name: methyl 4-naphthalen-2-ylsulfanyl-5-oxidanylidene-hexanoate Openeye Name: methyl 4-(2-naphthylsulfanyl)-5-oxo-hexanoate CAS Name: 4-(2-naphthalenylthio)-5-oxohexanoic acid methyl ester IUPAC Name: methyl 4-naphthalen-2-ylsulfanyl-5-oxohexanoate Traditional Name: 5-keto-4-(2-naphthylthio)hexanoic acid methyl ester Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC(=O)OC)SC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(=O)C(CCC(=O)OC)SC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H18O3S/c1-12(18)16(9-10-17(19)20-2)21-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16H,9-10H2,1-2H3