3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid

Systemtic Name: 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid Openeye Name: 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid CAS Name: 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid IUPAC Name: 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid Traditional Name: 3-(2-phenyl-1,3-benzothiazol-5-yl)propionic acid Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CCC(=O)O

InChI

InChI=1S/C16H13NO2S/c18-15(19)9-7-11-6-8-14-13(10-11)17-16(20-14)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,18,19)