[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H23NO3S/c24-20(14-27-19-12-9-15-7-4-8-17(15)13-19)26-21(16-5-2-1-3-6-16)22(25)23-18-10-11-18/h1-3,5-6,9,12-13,18,21H,4,7-8,10-11,14H2,(H,23,25)/t21-/m0/s1