5-ethyl-2-[(4-oxidanyl-4-oxidanylidene-butanethioyl)amino]benzoic acid

Systemtic Name: 5-ethyl-2-[(4-oxidanyl-4-oxidanylidene-butanethioyl)amino]benzoic acid Openeye Name: 5-ethyl-2-[(4-hydroxy-4-oxo-butanethioyl)amino]benzoic acid CAS Name: 5-ethyl-2-[(4-hydroxy-4-oxo-1-sulfanylidenebutyl)amino]benzoic acid IUPAC Name: 5-ethyl-2-[(4-hydroxy-4-oxobutanethioyl)amino]benzoic acid Traditional Name: 5-ethyl-2-[(4-hydroxy-4-keto-butanethioyl)amino]benzoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NC(=S)CCC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)NC(=S)CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO4S/c1-2-8-3-4-10(9(7-8)13(17)18)14-11(19)5-6-12(15)16/h3-4,7H,2,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)