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

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H25NO3S/c1-16-5-2-3-6-17(16)11-12-23-21(24)14-26-22(25)15-27-20-10-9-18-7-4-8-19(18)13-20/h2-3,5-6,9-10,13H,4,7-8,11-12,14-15H2,1H3,(H,23,24)