propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate Openeye Name: isopropyl 4-methylsulfanyl-2-(8-quinolylsulfonylamino)butanoate CAS Name: 4-(methylthio)-2-(8-quinolinylsulfonylamino)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate Traditional Name: 4-(methylthio)-2-(8-quinolylsulfonylamino)butyric acid isopropyl ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C17H22N2O4S2/c1-12(2)23-17(20)14(9-11-24-3)19-25(21,22)15-8-4-6-13-7-5-10-18-16(13)15/h4-8,10,12,14,19H,9,11H2,1-3H3