2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid

Systemtic Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid Openeye Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid CAS Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid IUPAC Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]butanedioic acid Traditional Name: 2-[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]succinic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(C=C1)SC(=N2)C(CC(=O)O)C(=O)O

Isomeric SMILES

CNC(=O)C1=CC2=C(C=C1)SC(=N2)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O5S/c1-14-11(18)6-2-3-9-8(4-6)15-12(21-9)7(13(19)20)5-10(16)17/h2-4,7H,5H2,1H3,(H,14,18)(H,16,17)(H,19,20)