(2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(furan-2-yl)ethanone

Systemtic Name: (2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(furan-2-yl)ethanone Openeye Name: (2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(2-furyl)ethanone CAS Name: (2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(2-furanyl)ethanone IUPAC Name: (2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(furan-2-yl)ethanone Traditional Name: (2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(2-furyl)ethanone Formula: C17H18NO2S+ MolecularWeight: 300.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=CC(=C2)C)SC1=CC(=O)C3=CC=CO3)C

Isomeric SMILES

CC[N+]\1(C2=C(C=CC(=C2)C)S/C1=C\C(=O)C3=CC=CO3)C

InChI

InChI=1S/C17H18NO2S/c1-4-18(3)13-10-12(2)7-8-16(13)21-17(18)11-14(19)15-6-5-9-20-15/h5-11H,4H2,1-3H3/q+1/b17-11-