ethyl 3-naphthalen-2-ylsulfanyl-2-oxidanylidene-hexanoate

Systemtic Name: ethyl 3-naphthalen-2-ylsulfanyl-2-oxidanylidene-hexanoate Openeye Name: ethyl 3-(2-naphthylsulfanyl)-2-oxo-hexanoate CAS Name: 3-(2-naphthalenylthio)-2-oxohexanoic acid ethyl ester IUPAC Name: ethyl 3-naphthalen-2-ylsulfanyl-2-oxohexanoate Traditional Name: 2-keto-3-(2-naphthylthio)hexanoic acid ethyl ester Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3S/c1-3-7-16(17(19)18(20)21-4-2)22-15-11-10-13-8-5-6-9-14(13)12-15/h5-6,8-12,16H,3-4,7H2,1-2H3