(2-azanyl-4-methylsulfanyl-butanoyl)-quinolin-8-yl-azanide; copper(1+); ethanoic acid

Systemtic Name: (2-azanyl-4-methylsulfanyl-butanoyl)-quinolin-8-yl-azanide; copper(1+); ethanoic acid Openeye Name: cuprous; acetic acid; (2-amino-4-methylsulfanyl-butanoyl)-(8-quinolyl)azanide CAS Name: acetic acid; [2-amino-4-(methylthio)-1-oxobutyl]-(8-quinolinyl)azanide; copper(1+) IUPAC Name: acetic acid; (2-amino-4-methylsulfanylbutanoyl)-quinolin-8-ylazanide; copper(1+) Traditional Name: cuprous; acetic acid; [2-amino-4-(methylthio)butanoyl]-(8-quinolyl)azanide Formula: C16H20CuN3O3S MolecularWeight: 397.9593

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CSCCC(C(=O)[N-]C1=CC=CC2=C1N=CC=C2)N.[Cu+]

Isomeric SMILES

CC(=O)O.CSCCC(C(=O)[N-]C1=CC=CC2=C1N=CC=C2)N.[Cu+]

InChI

InChI=1S/C14H17N3OS.C2H4O2.Cu/c1-19-9-7-11(15)14(18)17-12-6-2-4-10-5-3-8-16-13(10)12;1-2(3)4;/h2-6,8,11H,7,9,15H2,1H3,(H,17,18);1H3,(H,3,4);/q;;+1/p-1