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

Systemtic Name: 3-[2-[(Z)-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(Z)-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(Z)-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C16H16N2O4S4 MolecularWeight: 428.56924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=[N+](C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])SC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/C2=[N+](C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])/SC1=S

InChI

InChI=1S/C16H16N2O4S4/c1-2-17-15(19)13(25-16(17)23)10-14-18(8-5-9-26(20,21)22)11-6-3-4-7-12(11)24-14/h3-4,6-7,10H,2,5,8-9H2,1H3/b13-10-