2-[2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-azanyl-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-amino-1-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-amino-1-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)N)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)N)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C15H12N2O5S/c16-13(18)12(8-3-4-10-11(6-8)22-7-21-10)23-14-9(15(19)20)2-1-5-17-14/h1-6,12H,7H2,(H2,16,18)(H,19,20)