ethyl 2-[2-[3-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[3-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-[(6-butyl-3-cyano-2-pyridyl)thio]propanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)CC(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)CC(=O)OCC

InChI

InChI=1S/C20H24N4O3S2/c1-3-5-6-15-8-7-14(12-21)19(22-15)28-10-9-17(25)24-20-23-16(13-29-20)11-18(26)27-4-2/h7-8,13H,3-6,9-11H2,1-2H3,(H,23,24,25)