2-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(4-fluoroanilino)-3-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-fluoroanilino)-3-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-fluoroanilino)-3-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-(4-fluoroanilino)-3-keto-propyl]thio]acetic acid Formula: C11H12FNO3S MolecularWeight: 257.281283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCSCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSCC(=O)O)F

InChI

InChI=1S/C11H12FNO3S/c12-8-1-3-9(4-2-8)13-10(14)5-6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)