2-ethyl-4-[2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-2H-1,3-benzothiazol-3-yl]butanoic acid

Systemtic Name: 2-ethyl-4-[2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-2H-1,3-benzothiazol-3-yl]butanoic acid Openeye Name: 4-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-2H-1,3-benzothiazol-3-yl]-2-ethyl-butanoic acid CAS Name: 4-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-2H-1,3-benzothiazol-3-yl]-2-ethylbutanoic acid IUPAC Name: 4-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-2H-1,3-benzothiazol-3-yl]-2-ethylbutanoic acid Traditional Name: 4-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-2H-1,3-benzothiazol-3-yl]-2-ethyl-butyric acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C(SC2=CC=CC=C21)C=CC=CNC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(CCN1C(SC2=CC=CC=C21)/C=C/C=C/NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N2O2S/c1-2-18(23(26)27)15-17-25-20-12-6-7-13-21(20)28-22(25)14-8-9-16-24-19-10-4-3-5-11-19/h3-14,16,18,22,24H,2,15,17H2,1H3,(H,26,27)/b14-8+,16-9+