4-[[3-(2-methylquinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(2-methylquinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-hydroxy-1-[(2-methyl-4-quinolyl)sulfanylmethyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-hydroxy-3-[(2-methyl-4-quinolinyl)thio]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(2-methylquinolin-4-yl)sulfanyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-2-keto-1-[[(2-methyl-4-quinolyl)thio]methyl]ethyl]amino]-4-keto-butyric acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H18N2O5S/c1-10-8-14(11-4-2-3-5-12(11)18-10)25-9-13(17(23)24)19-15(20)6-7-16(21)22/h2-5,8,13H,6-7,9H2,1H3,(H,19,20)(H,21,22)(H,23,24)