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

Systemtic Name: ethyl 2-[2-[3-(3-cyano-6-propyl-pyridin-2-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[3-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-[(3-cyano-6-propyl-2-pyridyl)thio]propanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)CC(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)CC(=O)OCC

InChI

InChI=1S/C19H22N4O3S2/c1-3-5-14-7-6-13(11-20)18(21-14)27-9-8-16(24)23-19-22-15(12-28-19)10-17(25)26-4-2/h6-7,12H,3-5,8-10H2,1-2H3,(H,22,23,24)