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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C12H12N2O3S/c1-3-6-13-10(15)8-17-12(16)9-5-4-7-14-11(9)18-2/h1,4-5,7H,6,8H2,2H3,(H,13,15)