2-[(2Z)-6-methoxy-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: 2-[(2Z)-6-methoxy-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: 2-[(2Z)-6-methoxy-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-methoxy-2-[(E)-3-(1-methyl-2-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetate IUPAC Name: 2-[(2Z)-6-methoxy-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-methoxy-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetate Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC=C3N(C4=C(S3)C=C(C=C4)OC)CC(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C=C\3/N(C4=C(S3)C=C(C=C4)OC)CC(=O)[O-]

InChI

InChI=1S/C23H20N2O3S/c1-24-17(11-10-16-6-3-4-8-19(16)24)7-5-9-22-25(15-23(26)27)20-13-12-18(28-2)14-21(20)29-22/h3-14H,15H2,1-2H3