4-naphthalen-2-ylsulfanylbutyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate

Systemtic Name: 4-naphthalen-2-ylsulfanylbutyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate Openeye Name: 4-(2-naphthylsulfanyl)butyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 4-(2-naphthalenylthio)butyl ester IUPAC Name: 4-naphthalen-2-ylsulfanylbutyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate Traditional Name: 2-keto-2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)acetic acid 4-(2-naphthylthio)butyl ester Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCCCCOC(=O)C(=O)C3=C4C(=CC=C3)O4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCCCCOC(=O)C(=O)C3=C4C(=CC=C3)O4

InChI

InChI=1S/C22H18O4S/c23-20(18-8-5-9-19-21(18)26-19)22(24)25-12-3-4-13-27-17-11-10-15-6-1-2-7-16(15)14-17/h1-2,5-11,14H,3-4,12-13H2