3-[2-[butyl(ethanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[butyl(ethanoyl)amino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[acetyl(butyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[acetyl(butyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[acetyl(butyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[acetyl(butyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C(=O)C

Isomeric SMILES

CCCCN(CCSCC(CC(=O)O)C(=O)C1=CN=CC=C1)C(=O)C

InChI

InChI=1S/C18H26N2O4S/c1-3-4-8-20(14(2)21)9-10-25-13-16(11-17(22)23)18(24)15-6-5-7-19-12-15/h5-7,12,16H,3-4,8-11,13H2,1-2H3,(H,22,23)