3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methylamino]propanoic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-yloxy)benzyl]amino]propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)OC3=CC=C(C=C3)CNCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)OC3=CC=C(C=C3)CNCCC(=O)O

InChI

InChI=1S/C17H16N2O3S/c20-16(21)9-10-18-11-12-5-7-13(8-6-12)22-17-19-14-3-1-2-4-15(14)23-17/h1-8,18H,9-11H2,(H,20,21)