2-[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(2-methoxyethylcarbamoylamino)ethyl]thio]nicotinic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

COCCNC(=O)NC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H15N3O5S/c1-20-6-5-14-12(19)15-9(16)7-21-10-8(11(17)18)3-2-4-13-10/h2-4H,5-7H2,1H3,(H,17,18)(H2,14,15,16,19)