S-[2-[[6-(2-ethanoylsulfanylethanoylamino)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[6-(2-ethanoylsulfanylethanoylamino)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[6-[(2-acetylsulfanylacetyl)amino]-2-pyridyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[6-[[2-(acetylthio)-1-oxoethyl]amino]-2-pyridinyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[6-[(2-acetylsulfanylacetyl)amino]pyridin-2-yl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[6-[[2-(acetylthio)acetyl]amino]-2-pyridyl]amino]-2-keto-ethyl] ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC(=CC=C1)NC(=O)CSC(=O)C

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC(=CC=C1)NC(=O)CSC(=O)C

InChI

InChI=1S/C13H15N3O4S2/c1-8(17)21-6-12(19)15-10-4-3-5-11(14-10)16-13(20)7-22-9(2)18/h3-5H,6-7H2,1-2H3,(H2,14,15,16,19,20)