3-[3-(1,3-benzothiazol-6-yl)-4-[(2-chlorophenyl)methoxy]phenyl]propanoic acid

Systemtic Name: 3-[3-(1,3-benzothiazol-6-yl)-4-[(2-chlorophenyl)methoxy]phenyl]propanoic acid Openeye Name: 3-[3-(1,3-benzothiazol-6-yl)-4-[(2-chlorophenyl)methoxy]phenyl]propanoic acid CAS Name: 3-[3-(1,3-benzothiazol-6-yl)-4-[(2-chlorophenyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[3-(1,3-benzothiazol-6-yl)-4-[(2-chlorophenyl)methoxy]phenyl]propanoic acid Traditional Name: 3-[3-(1,3-benzothiazol-6-yl)-4-(2-chlorobenzyl)oxy-phenyl]propionic acid Formula: C23H18ClNO3S MolecularWeight: 423.91192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)N=CS4)Cl

InChI

InChI=1S/C23H18ClNO3S/c24-19-4-2-1-3-17(19)13-28-21-9-5-15(6-10-23(26)27)11-18(21)16-7-8-20-22(12-16)29-14-25-20/h1-5,7-9,11-12,14H,6,10,13H2,(H,26,27)