2-[(2Z)-5-chloranyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[(2Z)-5-chloranyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[(2Z)-5-chloro-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[(2Z)-5-chloro-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[(2Z)-5-chloro-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-[(2Z)-5-chloro-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]acetic acid Formula: C22H20ClN2O3S+ MolecularWeight: 427.9238

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=CC(=C4)Cl)CC(=O)O

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CC(=O)O

InChI

InChI=1S/C22H19ClN2O3S/c1-3-24-16(6-4-14-10-17(28-2)7-8-18(14)24)12-21-25(13-22(26)27)19-11-15(23)5-9-20(19)29-21/h4-12H,3,13H2,1-2H3/p+1