3-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid

Systemtic Name: 3-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid Openeye Name: 3-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid CAS Name: 3-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid IUPAC Name: 3-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid Traditional Name: 3-[[(2-oxamoyl-1,3-benzothiazol-6-yl)amino]methyl]benzoic acid Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC3=C(C=C2)N=C(S3)C(=O)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC3=C(C=C2)N=C(S3)C(=O)C(=O)N)C(=O)O

InChI

InChI=1S/C17H13N3O4S/c18-15(22)14(21)16-20-12-5-4-11(7-13(12)25-16)19-8-9-2-1-3-10(6-9)17(23)24/h1-7,19H,8H2,(H2,18,22)(H,23,24)