2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)-2-oxidanyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)-2-oxidanyl-phenoxy]propanoic acid Openeye Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-phenoxy]propanoic acid CAS Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxyphenoxy]propanoic acid IUPAC Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxyphenoxy]propanoic acid Traditional Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-phenoxy]propionic acid Formula: C16H12ClNO4S MolecularWeight: 349.78878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)Cl)O

Isomeric SMILES

CC(C(=O)O)OC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)Cl)O

InChI

InChI=1S/C16H12ClNO4S/c1-8(16(20)21)22-13-5-2-9(6-12(13)19)15-18-11-4-3-10(17)7-14(11)23-15/h2-8,19H,1H3,(H,20,21)