2-azanyl-3-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[3-(2-fluoroanilino)-3-oxo-propyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[3-(2-fluoroanilino)-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-amino-3-[3-(2-fluoroanilino)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[3-(2-fluoroanilino)-3-keto-propyl]thio]propionic acid Formula: C12H15FN2O3S MolecularWeight: 286.322503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2O3S/c13-8-3-1-2-4-10(8)15-11(16)5-6-19-7-9(14)12(17)18/h1-4,9H,5-7,14H2,(H,15,16)(H,17,18)