methyl 4-(6-naphthalen-2-ylhexylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(6-naphthalen-2-ylhexylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2-naphthyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(2-naphthalenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(6-naphthalen-2-ylhexylsulfanyl)-3-oxobutanoate Traditional Name: 3-keto-4-[6-(2-naphthyl)hexylthio]butyric acid methyl ester Formula: C21H26O3S MolecularWeight: 358.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H26O3S/c1-24-21(23)15-20(22)16-25-13-7-3-2-4-8-17-11-12-18-9-5-6-10-19(18)14-17/h5-6,9-12,14H,2-4,7-8,13,15-16H2,1H3