2-[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl]thio]nicotinic acid Formula: C15H15N3O3S2 MolecularWeight: 349.4279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C15H15N3O3S2/c19-12(8-22-13-9(14(20)21)4-3-7-16-13)18-15-17-10-5-1-2-6-11(10)23-15/h3-4,7H,1-2,5-6,8H2,(H,20,21)(H,17,18,19)