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

Systemtic Name: 3-[(2Z)-2-(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-(4-keto-3-methyl-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C14H13N2O4S4- MolecularWeight: 401.52402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])SC1=S

Isomeric SMILES

CN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])/SC1=S

InChI

InChI=1S/C14H14N2O4S4/c1-15-12(17)11(23-14(15)21)13-16(7-4-8-24(18,19)20)9-5-2-3-6-10(9)22-13/h2-3,5-6H,4,7-8H2,1H3,(H,18,19,20)/p-1/b13-11-