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

Systemtic Name: 2-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]diazenyl]propanoic acid Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)anilino]azopropanoic acid CAS Name: 2-[4-(1,3-benzothiazol-2-yl)anilino]azopropanoic acid IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)anilino]diazenyl]propanoic acid Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)anilino]azopropionic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N=NNC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)O)N=NNC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14N4O2S/c1-10(16(21)22)18-20-19-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)23-15/h2-10H,1H3,(H,18,19)(H,21,22)