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

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[[5-(2-amino-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[[5-(2-amino-2-keto-ethyl)-1,3,4-thiadiazol-2-yl]thio]-1,3-benzothiazole-6-carboxylic acid Formula: C12H8N4O3S3 MolecularWeight: 352.41192

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O3S3/c13-8(17)4-9-15-16-12(21-9)22-11-14-6-2-1-5(10(18)19)3-7(6)20-11/h1-3H,4H2,(H2,13,17)(H,18,19)