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

Systemtic Name: methyl 4-[[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethoxy]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(pyrrolidine-1-carbothioylthio)acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S2/c1-24-17(23)14-6-4-13(5-7-14)10-19-15(21)11-25-16(22)12-27-18(26)20-8-2-3-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21)