2-(3-methylquinoxalin-2-yl)sulfanyl-4-oxidanyl-pentanoic acid

Systemtic Name: 2-(3-methylquinoxalin-2-yl)sulfanyl-4-oxidanyl-pentanoic acid Openeye Name: 4-hydroxy-2-(3-methylquinoxalin-2-yl)sulfanyl-pentanoic acid CAS Name: 4-hydroxy-2-[(3-methyl-2-quinoxalinyl)thio]pentanoic acid IUPAC Name: 4-hydroxy-2-(3-methylquinoxalin-2-yl)sulfanylpentanoic acid Traditional Name: 4-hydroxy-2-[(3-methylquinoxalin-2-yl)thio]valeric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SC(CC(C)O)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SC(CC(C)O)C(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-8(17)7-12(14(18)19)20-13-9(2)15-10-5-3-4-6-11(10)16-13/h3-6,8,12,17H,7H2,1-2H3,(H,18,19)