2-[2-(phenylcarbonyloxymethyl)-1,3-benzothiazol-6-yl]ethanoic acid

Systemtic Name: 2-[2-(phenylcarbonyloxymethyl)-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[2-(benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[2-(benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[2-(benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-[2-(benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid Formula: C17H13NO4S MolecularWeight: 327.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=NC3=C(S2)C=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=NC3=C(S2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C17H13NO4S/c19-16(20)9-11-6-7-13-14(8-11)23-15(18-13)10-22-17(21)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)