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

Systemtic Name: 3-[2-(3-azanyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(3-amino-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-(3-amino-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-(3-amino-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(3-amino-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C13H13N3O4S4 MolecularWeight: 403.52002

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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)