4-[5-(2,5-dimethoxyphenyl)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butanoate

Systemtic Name: 4-[5-(2,5-dimethoxyphenyl)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butanoate Openeye Name: 4-[5-(2,5-dimethoxyphenyl)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]butanoate CAS Name: 4-[5-(2,5-dimethoxyphenyl)-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]butanoate IUPAC Name: 4-[5-(2,5-dimethoxyphenyl)-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butanoate Traditional Name: 4-[5-(2,5-dimethoxyphenyl)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]butyrate Formula: C32H32N2O5S MolecularWeight: 556.67188

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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)C5=C(C=CC(=C5)OC)OC)CCCC(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=CC(=C4)C5=C(C=CC(=C5)OC)OC)CCCC(=O)[O-]

InChI

InChI=1S/C32H32N2O5S/c1-5-33-23(10-8-22-17-24(37-2)11-13-27(22)33)19-31-34(16-6-7-32(35)36)28-18-21(9-15-30(28)40-31)26-20-25(38-3)12-14-29(26)39-4/h8-15,17-20H,5-7,16H2,1-4H3