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

Systemtic Name: 2-[[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[5-(methylcarbamoyl)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S2/c1-14-11(18)6-2-3-8-7(4-6)15-13(21-8)22-9(12(19)20)5-10(16)17/h2-4,9H,5H2,1H3,(H,14,18)(H,16,17)(H,19,20)