2-oxidanyl-5-[[4-oxidanyl-3-(pyrrolidin-1-ylamino)-1,2-thiazol-5-yl]amino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[4-oxidanyl-3-(pyrrolidin-1-ylamino)-1,2-thiazol-5-yl]amino]benzoic acid Openeye Name: 2-hydroxy-5-[[4-hydroxy-3-(pyrrolidin-1-ylamino)isothiazol-5-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[4-hydroxy-3-(1-pyrrolidinylamino)-5-isothiazolyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-hydroxy-3-(pyrrolidin-1-ylamino)-1,2-thiazol-5-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[4-hydroxy-3-(pyrrolidinoamino)isothiazol-5-yl]amino]benzoic acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC2=NSC(=C2O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CCN(C1)NC2=NSC(=C2O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C14H16N4O4S/c19-10-4-3-8(7-9(10)14(21)22)15-13-11(20)12(17-23-13)16-18-5-1-2-6-18/h3-4,7,15,19-20H,1-2,5-6H2,(H,16,17)(H,21,22)