(2E)-2-[3-(carboxymethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-aziridin-1-ium]-2'-carboxylic acid

Systemtic Name: (2E)-2-[3-(carboxymethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-aziridin-1-ium]-2'-carboxylic acid Openeye Name: (2E)-2-[3-(carboxymethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-aziridin-1-ium]-2'-carboxylic acid CAS Name: (2E)-2-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]-2'-spiro[1,3-benzoxazol-3-ium-3,1'-aziridin-1-ium]carboxylic acid IUPAC Name: (2E)-2-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-aziridin-1-ium]-2'-carboxylic acid Traditional Name: (2E)-2-[3-(carboxymethyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]spiro[1,3-benzoxazol-3-ium-3,1'-aziridin-1-ium]-2'-carboxylic acid Formula: C15H11N2O6S2+ MolecularWeight: 379.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+]12C3=CC=CC=C3OC2=C4C(=O)N(C(=S)S4)CC(=O)O)C(=O)O

Isomeric SMILES

C1C([N+]1\2C3=CC=CC=C3O/C2=C/4\C(=O)N(C(=S)S4)CC(=O)O)C(=O)O

InChI

InChI=1S/C15H10N2O6S2/c18-10(19)5-16-12(20)11(25-15(16)24)13-17(6-8(17)14(21)22)7-3-1-2-4-9(7)23-13/h1-4,8H,5-6H2,(H-,18,19,21,22)/p+1/b13-11+