[4-acetyloxy-3-[1-ethylsulfanyl-2-oxidanylidene-1-(pyridin-4-ylcarbonylamino)propyl]phenyl] ethanoate

Systemtic Name: [4-acetyloxy-3-[1-ethylsulfanyl-2-oxidanylidene-1-(pyridin-4-ylcarbonylamino)propyl]phenyl] ethanoate Openeye Name: [4-acetoxy-3-[1-ethylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)propyl]phenyl] acetate CAS Name: acetic acid [4-acetyloxy-3-[1-(ethylthio)-2-oxo-1-[[oxo(pyridin-4-yl)methyl]amino]propyl]phenyl] ester IUPAC Name: [4-acetyloxy-3-[1-ethylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)propyl]phenyl] acetate Traditional Name: acetic acid [4-acetoxy-3-[1-(ethylthio)-1-isonicotinamido-2-keto-propyl]phenyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=C(C=CC(=C1)OC(=O)C)OC(=O)C)(C(=O)C)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CCSC(C1=C(C=CC(=C1)OC(=O)C)OC(=O)C)(C(=O)C)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C21H22N2O6S/c1-5-30-21(13(2)24,23-20(27)16-8-10-22-11-9-16)18-12-17(28-14(3)25)6-7-19(18)29-15(4)26/h6-12H,5H2,1-4H3,(H,23,27)