(5E)-3-ethyl-2-methylsulfanyl-5-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one

Systemtic Name: (5E)-3-ethyl-2-methylsulfanyl-5-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one Openeye Name: (5E)-3-ethyl-2-methylsulfanyl-5-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)thiazol-3-ium-4-one CAS Name: (5E)-3-ethyl-5-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)-2-(methylthio)-4-thiazol-3-iumone IUPAC Name: (5E)-3-ethyl-2-methylsulfanyl-5-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-3-ethyl-5-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)-2-(methylthio)-2-thiazolin-3-ium-4-one Formula: C14H19N2OS3+ MolecularWeight: 327.50846

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=C(S2)CCCC3)C)C1=O)SC

Isomeric SMILES

CC[N+]1=C(S/C(=C/2\N(C3=C(S2)CCCC3)C)/C1=O)SC

InChI

InChI=1S/C14H19N2OS3/c1-4-16-12(17)11(20-14(16)18-3)13-15(2)9-7-5-6-8-10(9)19-13/h4-8H2,1-3H3/q+1/b13-11+