3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoic acid CAS Name: 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-[4-(1,3-benzothiazol-6-ylmethoxy)phenyl]propionic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)OCC2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)OCC2=CC3=C(C=C2)N=CS3

InChI

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