6-[2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-6-sulfo-2H-1,3-benzothiazol-3-yl]hexanoic acid

Systemtic Name: 6-[2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-6-sulfo-2H-1,3-benzothiazol-3-yl]hexanoic acid Openeye Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-6-sulfo-2H-1,3-benzothiazol-3-yl]hexanoic acid CAS Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-6-sulfo-2H-1,3-benzothiazol-3-yl]hexanoic acid IUPAC Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-6-sulfo-2H-1,3-benzothiazol-3-yl]hexanoic acid Traditional Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-6-sulfo-2H-1,3-benzothiazol-3-yl]hexanoic acid Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=CC=CC2N(C3=C(S2)C=C(C=C3)S(=O)(=O)O)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N/C=C/C=C/C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)O)CCCCCC(=O)O

InChI

InChI=1S/C23H26N2O5S2/c26-23(27)12-5-2-8-16-25-20-14-13-19(32(28,29)30)17-21(20)31-22(25)11-6-7-15-24-18-9-3-1-4-10-18/h1,3-4,6-7,9-11,13-15,17,22,24H,2,5,8,12,16H2,(H,26,27)(H,28,29,30)/b11-6+,15-7+