2-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]diazenyl]pentanedioic acid

Systemtic Name: 2-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]diazenyl]pentanedioic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)anilino]azopentanedioic acid CAS Name: 2-[4-(1,3-benzothiazol-2-yl)anilino]azopentanedioic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)anilino]diazenyl]pentanedioic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)anilino]azoglutaric acid Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NN=NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NN=NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H16N4O4S/c23-16(24)10-9-14(18(25)26)21-22-20-12-7-5-11(6-8-12)17-19-13-3-1-2-4-15(13)27-17/h1-8,14H,9-10H2,(H,20,21)(H,23,24)(H,25,26)