4-[2,5-bis(oxidanylidene)-3-(2-sulfanylideneimidazolidin-1-yl)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-(2-sulfanylideneimidazolidin-1-yl)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[2,5-dioxo-3-(2-thioxoimidazolidin-1-yl)pyrrolidin-1-yl]benzoic acid CAS Name: 4-[2,5-dioxo-3-(2-sulfanylidene-1-imidazolidinyl)-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[2,5-dioxo-3-(2-sulfanylideneimidazolidin-1-yl)pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[2,5-diketo-3-(2-thioxoimidazolidin-1-yl)pyrrolidino]benzoic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=S)N1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(C(=S)N1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H13N3O4S/c18-11-7-10(16-6-5-15-14(16)22)12(19)17(11)9-3-1-8(2-4-9)13(20)21/h1-4,10H,5-7H2,(H,15,22)(H,20,21)