dimethyl 2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]carbothioylsulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]carbothioylsulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2,5-dioxopyrrolidine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[(2,5-dioxo-1-pyrrolidinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2,5-dioxopyrrolidine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(2,5-diketopyrrolidine-1-carbothioyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H16N2O7S2 MolecularWeight: 424.44814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC(=S)N2C(=O)CCC2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC(=S)N2C(=O)CCC2=O

InChI

InChI=1S/C17H16N2O7S2/c1-25-15(23)9-3-4-10(16(24)26-2)11(7-9)18-12(20)8-28-17(27)19-13(21)5-6-14(19)22/h3-4,7H,5-6,8H2,1-2H3,(H,18,20)