2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-6-fluoranyl-benzoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-6-fluoranyl-benzoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-6-fluoro-benzoic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-6-fluorobenzoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-6-fluorobenzoic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-6-fluoro-benzoic acid Formula: C12H13FN2O4S MolecularWeight: 300.306023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)O)NC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)O)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C12H13FN2O4S/c13-7-2-1-3-8(11(7)12(18)19)15-10(17)4-5-20-6-9(14)16/h1-3H,4-6H2,(H2,14,16)(H,15,17)(H,18,19)