2-[[5-(2-carboxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[[5-(2-carboxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(2-carboxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(2-carboxyethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(2-carboxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(2-carboxyethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C13H9N3O4S3 MolecularWeight: 367.42326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC(=N2)SC3=NN=C(S3)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC(=N2)SC3=NN=C(S3)CCC(=O)O

InChI

InChI=1S/C13H9N3O4S3/c17-10(18)4-3-9-15-16-13(22-9)23-12-14-7-2-1-6(11(19)20)5-8(7)21-12/h1-2,5H,3-4H2,(H,17,18)(H,19,20)