dimethyl 2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S2/c1-23-15(21)11-5-6-12(16(22)24-2)13(9-11)18-14(20)10-26-17(25)19-7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20)