3-[2-[(4-ethanoylphenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-[(4-ethanoylphenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[(4-acetylphenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[(4-acetylanilino)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[(4-acetylphenyl)carbamoylamino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[(4-acetylphenyl)carbamoylamino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H23N3O5S/c1-14(25)15-4-6-18(7-5-15)24-21(29)23-9-10-30-13-17(11-19(26)27)20(28)16-3-2-8-22-12-16/h2-8,12,17H,9-11,13H2,1H3,(H,26,27)(H2,23,24,29)