methyl 4-methyl-3-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyloxy)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[2-(pyrrolidine-1-carbothioylthio)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

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