ethyl 2-[[4-methylsulfanyl-2-(pyridin-1-ium-3-ylcarbonylamino)butanoyl]amino]ethanoate chloride

Systemtic Name: ethyl 2-[[4-methylsulfanyl-2-(pyridin-1-ium-3-ylcarbonylamino)butanoyl]amino]ethanoate chloride Openeye Name: ethyl 2-[[4-methylsulfanyl-2-(pyridin-1-ium-3-carbonylamino)butanoyl]amino]acetate chloride CAS Name: 2-[[4-(methylthio)-1-oxo-2-[[oxo(3-pyridin-1-iumyl)methyl]amino]butyl]amino]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[[4-methylsulfanyl-2-(pyridin-1-ium-3-carbonylamino)butanoyl]amino]acetate chloride Traditional Name: 2-[[4-(methylthio)-2-(pyridin-1-ium-3-carbonylamino)butanoyl]amino]acetic acid ethyl ester chloride Formula: C15H22ClN3O4S MolecularWeight: 375.87088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCSC)NC(=O)C1=C[NH+]=CC=C1.[Cl-]

Isomeric SMILES

CCOC(=O)CNC(=O)C(CCSC)NC(=O)C1=C[NH+]=CC=C1.[Cl-]

InChI

InChI=1S/C15H21N3O4S.ClH/c1-3-22-13(19)10-17-15(21)12(6-8-23-2)18-14(20)11-5-4-7-16-9-11;/h4-5,7,9,12H,3,6,8,10H2,1-2H3,(H,17,21)(H,18,20);1H