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

Systemtic Name: 2-[(2Z)-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: 2-[(2Z)-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(E)-3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]-6-methoxy-1,3-benzothiazol-3-yl]acetate IUPAC Name: 2-[(2Z)-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzothiazol-3-yl]acetate Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[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/C24H22N2O3S/c1-3-25-18(12-11-17-7-4-5-9-20(17)25)8-6-10-23-26(16-24(27)28)21-14-13-19(29-2)15-22(21)30-23/h4-15H,3,16H2,1-2H3