methyl 2-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[2-(pyrrolidine-1-carbothioylthio)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H20N2O5S2/c1-23-16(22)12-6-2-3-7-13(12)18-14(20)10-24-15(21)11-26-17(25)19-8-4-5-9-19/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,20)