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

Systemtic Name: 3-[(2E)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate; triethylazanium Openeye Name: 3-[(2E)-2-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate; triethylammonium CAS Name: 3-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate; triethylammonium IUPAC Name: 3-[(2E)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate; triethylazanium Traditional Name: 3-[(2E)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate; triethylammonium Formula: C21H31N3O4S4 MolecularWeight: 517.74854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])SC1=S.CC[NH+](CC)CC

Isomeric SMILES

CCN1C(=O)/C(=C\2/N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])/SC1=S.CC[NH+](CC)CC

InChI

InChI=1S/C15H16N2O4S4.C6H15N/c1-2-16-13(18)12(24-15(16)22)14-17(8-5-9-25(19,20)21)10-6-3-4-7-11(10)23-14;1-4-7(5-2)6-3/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20,21);4-6H2,1-3H3/b14-12+;