[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CSC1=CC2=C(CCC2)C=C1

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CSC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C18H25NO3S/c1-12(2)10-19-18(21)13(3)22-17(20)11-23-16-8-7-14-5-4-6-15(14)9-16/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,19,21)/t13-/m0/s1