methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2-indan-5-ylsulfanylacetyl)oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(indan-5-ylthio)acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H23NO5S/c1-27-22(26)17-7-5-15(6-8-17)12-23-20(24)13-28-21(25)14-29-19-10-9-16-3-2-4-18(16)11-19/h5-11H,2-4,12-14H2,1H3,(H,23,24)