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

Systemtic Name: methyl 4-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-indan-5-ylsulfanylacetyl)oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-(indan-5-ylthio)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-26-21(25)15-5-8-17(9-6-15)22-19(23)12-27-20(24)13-28-18-10-7-14-3-2-4-16(14)11-18/h5-11H,2-4,12-13H2,1H3,(H,22,23)