5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSCC(=O)N)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSCC(=O)N)C(=O)O)O

InChI

InChI=1S/C12H14N2O5S/c13-10(16)6-20-4-3-11(17)14-7-1-2-9(15)8(5-7)12(18)19/h1-2,5,15H,3-4,6H2,(H2,13,16)(H,14,17)(H,18,19)