2-(2,1,3-benzothiadiazol-5-yl)-3-(4-methoxycarbonylphenyl)propanoic acid

Systemtic Name: 2-(2,1,3-benzothiadiazol-5-yl)-3-(4-methoxycarbonylphenyl)propanoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-5-yl)-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: 2-(2,1,3-benzothiadiazol-5-yl)-3-(4-methoxycarbonylphenyl)propanoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-5-yl)-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-2-piazthiol-5-yl-propionic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(C2=CC3=NSN=C3C=C2)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(C2=CC3=NSN=C3C=C2)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c1-23-17(22)11-4-2-10(3-5-11)8-13(16(20)21)12-6-7-14-15(9-12)19-24-18-14/h2-7,9,13H,8H2,1H3,(H,20,21)