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

Systemtic Name: 3-[2-(3-azanyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[2-(3-amino-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[2-(3-amino-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-(3-amino-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[2-(3-amino-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C13H12N3O4S4- MolecularWeight: 402.51208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S4/c14-16-11(17)10(23-13(16)21)12-15(6-3-7-24(18,19)20)8-4-1-2-5-9(8)22-12/h1-2,4-5H,3,6-7,14H2,(H,18,19,20)/p-1