[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-3-pyridinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(propargylamino)ethyl]thio]nicotinic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NCC#C

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NCC#C

InChI

InChI=1S/C16H15N3O4S/c1-3-7-17-13(20)10-23-16(22)12-6-5-9-19-15(12)24-11-14(21)18-8-4-2/h1-2,5-6,9H,7-8,10-11H2,(H,17,20)(H,18,21)