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

Systemtic Name: 3-naphthalen-2-ylsulfanylpropyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate Openeye Name: 3-(2-naphthylsulfanyl)propyl 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 3-(2-naphthalenylthio)propyl ester IUPAC Name: 3-naphthalen-2-ylsulfanylpropyl 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 3-(2-naphthylthio)propyl ester Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16O4S/c22-19(17-7-3-8-18-20(17)25-18)21(23)24-11-4-12-26-16-10-9-14-5-1-2-6-15(14)13-16/h1-3,5-10,13H,4,11-12H2