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

Systemtic Name: 2-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(carboxymethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C12H7N3O4S3 MolecularWeight: 353.39668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N3O4S3/c16-9(17)4-8-14-15-12(21-8)22-11-13-6-2-1-5(10(18)19)3-7(6)20-11/h1-3H,4H2,(H,16,17)(H,18,19)