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

Systemtic Name: [3-[1-ethylsulfanyl-2-oxidanylidene-1-(pyridin-4-ylcarbonylamino)propyl]-4-oxidanyl-phenyl] ethanoate Openeye Name: [3-[1-ethylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)propyl]-4-hydroxy-phenyl] acetate CAS Name: acetic acid [3-[1-(ethylthio)-2-oxo-1-[[oxo(pyridin-4-yl)methyl]amino]propyl]-4-hydroxyphenyl] ester IUPAC Name: [3-[1-ethylsulfanyl-2-oxo-1-(pyridine-4-carbonylamino)propyl]-4-hydroxyphenyl] acetate Traditional Name: acetic acid [3-[1-(ethylthio)-1-isonicotinamido-2-keto-propyl]-4-hydroxy-phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-4-27-19(12(2)22,21-18(25)14-7-9-20-10-8-14)16-11-15(26-13(3)23)5-6-17(16)24/h5-11,24H,4H2,1-3H3,(H,21,25)