methyl 2-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]ethanoate Openeye Name: methyl 2-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-5-yl]acetate CAS Name: 2-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazol-5-yl]acetate Traditional Name: 2-[(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazol-5-yl]acetic acid methyl ester Formula: C22H23N2O2S2+ MolecularWeight: 411.56022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)CC(=O)OC)SC1=CC3=[N+](C4=CC=CC=C4S3)CC

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)CC(=O)OC)S/C1=C\C3=[N+](C4=CC=CC=C4S3)CC

InChI

InChI=1S/C22H23N2O2S2/c1-4-23-16-8-6-7-9-18(16)27-20(23)14-21-24(5-2)17-12-15(13-22(25)26-3)10-11-19(17)28-21/h6-12,14H,4-5,13H2,1-3H3/q+1