2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethyl]thio]nicotinic acid Formula: C15H10N4O5S2 MolecularWeight: 390.3937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N4O5S2/c20-12(7-25-13-9(14(21)22)2-1-5-16-13)18-15-17-10-6-8(19(23)24)3-4-11(10)26-15/h1-6H,7H2,(H,21,22)(H,17,18,20)