methyl 5-naphthalen-2-ylsulfanyl-6-oxidanylidene-heptanoate

Systemtic Name: methyl 5-naphthalen-2-ylsulfanyl-6-oxidanylidene-heptanoate Openeye Name: methyl 5-(2-naphthylsulfanyl)-6-oxo-heptanoate CAS Name: 5-(2-naphthalenylthio)-6-oxoheptanoic acid methyl ester IUPAC Name: methyl 5-naphthalen-2-ylsulfanyl-6-oxoheptanoate Traditional Name: 6-keto-5-(2-naphthylthio)enanthic acid methyl ester Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3S/c1-13(19)17(8-5-9-18(20)21-2)22-16-11-10-14-6-3-4-7-15(14)12-16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3