2-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl]thio]nicotinic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-20-11(17)5-3-6-14-10(16)8-21-12-9(13(18)19)4-2-7-15-12/h2,4,7H,3,5-6,8H2,1H3,(H,14,16)(H,18,19)