4-methylsulfanyl-2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]butanoic acid Openeye Name: 2-[[(1E)-1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1E)-1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(1E)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(1E)-1-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-4-(methylthio)butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1O)NC(CCSC)C(=O)O

Isomeric SMILES

C/C(=C\1/C=CC(=O)C=C1O)/NC(CCSC)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-8(10-4-3-9(15)7-12(10)16)14-11(13(17)18)5-6-19-2/h3-4,7,11,14,16H,5-6H2,1-2H3,(H,17,18)/b10-8+