propan-2-yl 2-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(5-hex-1-ynyl-3-pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(5-hex-1-ynylnicotinoyl)amino]-4-(methylthio)butyric acid isopropyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC(CCSC)C(=O)OC(C)C

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC(CCSC)C(=O)OC(C)C

InChI

InChI=1S/C20H28N2O3S/c1-5-6-7-8-9-16-12-17(14-21-13-16)19(23)22-18(10-11-26-4)20(24)25-15(2)3/h12-15,18H,5-7,10-11H2,1-4H3,(H,22,23)