2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-prop-2-enyl-1,3-thiazol-3-ium-4-one chloride

Systemtic Name: 2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-prop-2-enyl-1,3-thiazol-3-ium-4-one chloride Openeye Name: 3-allyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]thiazol-3-ium-4-one chloride CAS Name: 2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-prop-2-enyl-4-thiazol-3-iumone chloride IUPAC Name: 2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3-prop-2-enyl-1,3-thiazol-3-ium-4-one chloride Traditional Name: 3-allyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-thiazolin-3-ium-4-one chloride Formula: C16H17ClN2OS2 MolecularWeight: 352.90198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C(=O)CS3)CC=C.[Cl-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C(=O)CS3)CC=C.[Cl-]

InChI

InChI=1S/C16H17N2OS2.ClH/c1-3-9-18-14(19)11-20-15(18)10-16-17(4-2)12-7-5-6-8-13(12)21-16;/h3,5-8,10H,1,4,9,11H2,2H3;1H/q+1;/p-1