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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S2/c1-2-24-17(23)13-5-7-14(8-6-13)19-15(21)11-25-16(22)12-27-18(26)20-9-3-4-10-20/h5-8H,2-4,9-12H2,1H3,(H,19,21)