[2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-oxo-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)COC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H23NO5S/c24-20(14-26-21(25)15-29-17-7-3-1-4-8-17)23-16-9-10-18-19(13-16)28-22(27-18)11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,23,24)