[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-indan-5-yloxyacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate Traditional Name: 2-indan-5-yloxyacetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OCC(=O)OCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S/c24-21(23-11-12-28-16-17-5-2-1-3-6-17)14-27-22(25)15-26-20-10-9-18-7-4-8-19(18)13-20/h1-3,5-6,9-10,13H,4,7-8,11-12,14-16H2,(H,23,24)