2-[4-oxidanylidene-2-sulfanylidene-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[4-oxidanylidene-2-sulfanylidene-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[4-oxo-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[4-oxo-2-sulfanylidene-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-3-thiazolidinyl]acetate IUPAC Name: 2-[4-oxo-2-sulfanylidene-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[4-keto-5-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-2-thioxo-thiazolidin-3-yl]acetate Formula: C15H13N2O6S4- MolecularWeight: 445.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C3C(=O)N(C(=S)S3)CC(=O)[O-])S2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C3C(=O)N(C(=S)S3)CC(=O)[O-])S2)CCCS(=O)(=O)O

InChI

InChI=1S/C15H14N2O6S4/c18-11(19)8-17-13(20)12(26-15(17)24)14-16(6-3-7-27(21,22)23)9-4-1-2-5-10(9)25-14/h1-2,4-5H,3,6-8H2,(H,18,19)(H,21,22,23)/p-1