[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)ethanoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-indan-5-yloxyacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate Traditional Name: 2-indan-5-yloxyacetic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)COC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)COC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H25NO4S/c1-16-5-9-20(10-6-16)28-12-11-23-21(24)14-27-22(25)15-26-19-8-7-17-3-2-4-18(17)13-19/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,24)