[4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoylamino]phenyl] ethanoate

Systemtic Name: [4-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoylamino]phenyl] ethanoate Openeye Name: [4-[[2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]acetyl]amino]phenyl] acetate CAS Name: acetic acid [4-[[2-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-(6-butyl-3-cyanopyridin-2-yl)sulfanylacetyl]amino]phenyl] acetate Traditional Name: acetic acid [4-[[2-[(6-butyl-3-cyano-2-pyridyl)thio]acetyl]amino]phenyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)OC(=O)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)OC(=O)C

InChI

InChI=1S/C20H21N3O3S/c1-3-4-5-16-7-6-15(12-21)20(23-16)27-13-19(25)22-17-8-10-18(11-9-17)26-14(2)24/h6-11H,3-5,13H2,1-2H3,(H,22,25)