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

Systemtic Name: 3-[2-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[2-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[2-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[2-(4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C13H11N2O4S4- MolecularWeight: 387.49744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O4S4/c16-11-10(22-13(20)14-11)12-15(6-3-7-23(17,18)19)8-4-1-2-5-9(8)21-12/h1-2,4-5H,3,6-7H2,(H,14,16,20)(H,17,18,19)/p-1