tert-butyl methanoate; 4-methylsulfanyl-2-(quinolin-3-ylcarbonylamino)butanoic acid

Systemtic Name: tert-butyl methanoate; 4-methylsulfanyl-2-(quinolin-3-ylcarbonylamino)butanoic acid Openeye Name: tert-butyl formate; 4-methylsulfanyl-2-(quinoline-3-carbonylamino)butanoic acid CAS Name: formic acid tert-butyl ester; 4-(methylthio)-2-[[oxo(3-quinolinyl)methyl]amino]butanoic acid IUPAC Name: tert-butyl formate; 4-methylsulfanyl-2-(quinoline-3-carbonylamino)butanoic acid Traditional Name: formic acid tert-butyl ester; 4-(methylthio)-2-(quinoline-3-carbonylamino)butyric acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC=O.CSCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)(C)OC=O.CSCCC(C(=O)O)NC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C15H16N2O3S.C5H10O2/c1-21-7-6-13(15(19)20)17-14(18)11-8-10-4-2-3-5-12(10)16-9-11;1-5(2,3)7-4-6/h2-5,8-9,13H,6-7H2,1H3,(H,17,18)(H,19,20);4H,1-3H3