methyl 4-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H20N2O5S2/c1-23-16(22)12-4-6-13(7-5-12)18-14(20)10-24-15(21)11-26-17(25)19-8-2-3-9-19/h4-7H,2-3,8-11H2,1H3,(H,18,20)