2-(2-azanyl-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-sulfonic acid

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-sulfonic acid Openeye Name: 2-(2-amino-2-oxo-ethyl)-1,3-benzothiazole-6-sulfonic acid CAS Name: 2-(2-amino-2-oxoethyl)-1,3-benzothiazole-6-sulfonic acid IUPAC Name: 2-(2-amino-2-oxoethyl)-1,3-benzothiazole-6-sulfonic acid Traditional Name: 2-(2-amino-2-keto-ethyl)-1,3-benzothiazole-6-sulfonic acid Formula: C9H8N2O4S2 MolecularWeight: 272.30082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)SC(=N2)CC(=O)N

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)SC(=N2)CC(=O)N

InChI

InChI=1S/C9H8N2O4S2/c10-8(12)4-9-11-6-2-1-5(17(13,14)15)3-7(6)16-9/h1-3H,4H2,(H2,10,12)(H,13,14,15)