2-[[2-(carboxymethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(carboxymethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(carboxymethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-(carboxymethylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(carboxymethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(carboxymethylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C17H12N2O5S2 MolecularWeight: 388.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)O)C(=O)O

InChI

InChI=1S/C17H12N2O5S2/c20-14(21)8-25-17-19-12-6-5-9(7-13(12)26-17)18-15(22)10-3-1-2-4-11(10)16(23)24/h1-7H,8H2,(H,18,22)(H,20,21)(H,23,24)