3-[1-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[1-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrazol-3-yl]propanoic acid Openeye Name: 3-[1-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrazol-3-yl]propanoic acid CAS Name: 3-[1-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-3-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrazol-3-yl]propanoic acid Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)pyrazol-3-yl]propionic acid Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=CC(=N3)CCC(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=CC(=N3)CCC(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H14ClN3O2S/c20-13-7-5-12(6-8-13)16-11-14(9-10-18(24)25)22-23(16)19-21-15-3-1-2-4-17(15)26-19/h1-8,11H,9-10H2,(H,24,25)