(5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one ethanoate

Systemtic Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one ethanoate Openeye Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-thiazol-3-ium-4-one acetate CAS Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-thiazol-3-iumone acetate IUPAC Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanyl-1,3-thiazol-3-ium-4-one acetate Traditional Name: (5E)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one acetate Formula: C16H18N2O3S3 MolecularWeight: 382.52072

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=CC=CC=C3S2)C)C1=O)SC.CC(=O)[O-]

Isomeric SMILES

CC[N+]1=C(S/C(=C/2\N(C3=CC=CC=C3S2)C)/C1=O)SC.CC(=O)[O-]

InChI

InChI=1S/C14H15N2OS3.C2H4O2/c1-4-16-12(17)11(20-14(16)18-3)13-15(2)9-7-5-6-8-10(9)19-13;1-2(3)4/h5-8H,4H2,1-3H3;1H3,(H,3,4)/q+1;/p-1/b13-11+;