methyl 4-(3-naphthalen-2-ylpropylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-naphthalen-2-ylpropylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(2-naphthyl)propylsulfanyl]-3-oxo-butanoate CAS Name: 4-[3-(2-naphthalenyl)propylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-naphthalen-2-ylpropylsulfanyl)-3-oxobutanoate Traditional Name: 3-keto-4-[3-(2-naphthyl)propylthio]butyric acid methyl ester Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CC(=O)CSCCCC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H20O3S/c1-21-18(20)12-17(19)13-22-10-4-5-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11H,4-5,10,12-13H2,1H3