(5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate

Systemtic Name: (5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one tosylate Formula: C22H24N2O5S4 MolecularWeight: 524.69636

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=C(S2)C=CC(=C3)OC)C)C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(S/C(=C\2/N(C3=C(S2)C=CC(=C3)OC)C)/C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H17N2O2S3.C7H8O3S/c1-5-17-13(18)12(22-15(17)20-4)14-16(2)10-8-9(19-3)6-7-11(10)21-14;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b14-12-;