(2Z,5E)-3-ethyl-2-[[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one; 4-methylbenzenesulfonate

Systemtic Name: (2Z,5E)-3-ethyl-2-[[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one; 4-methylbenzenesulfonate Openeye Name: (2Z,5E)-3-ethyl-2-[[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]methylene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)thiazolidin-4-one; 4-methylbenzenesulfonate CAS Name: (2Z,5E)-3-ethyl-2-[[1-(2-hydroxyethyl)-2-pyridin-1-iumyl]methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-thiazolidinone; 4-methylbenzenesulfonate IUPAC Name: (2Z,5E)-3-ethyl-2-[[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one; 4-methylbenzenesulfonate Traditional Name: (2Z,5E)-3-ethyl-2-[[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]methylene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)thiazolidin-4-one tosylate Formula: C28H29N3O5S3 MolecularWeight: 583.74196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=[N+]2CCO)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C2=CC=CC=[N+]2CCO)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H22N3O2S2.C7H8O3S/c1-3-24-18(14-15-8-6-7-11-23(15)12-13-25)28-19(20(24)26)21-22(2)16-9-4-5-10-17(16)27-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,14,25H,3,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b21-19+;