2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(1E)-1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(1E)-1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(1E)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(1E)-1-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-mercapto-propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-6(12-9(5-17)11(15)16)8-3-2-7(13)4-10(8)14/h2-4,9,12,14,17H,5H2,1H3,(H,15,16)/b8-6+