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

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoic acid CAS Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propionic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C17H15NO3S/c19-17(20)10-7-12-5-8-13(9-6-12)21-11-16-18-14-3-1-2-4-15(14)22-16/h1-6,8-9H,7,10-11H2,(H,19,20)