3-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[2-(4-fluoroanilino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 3-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[2-(4-fluoroanilino)-2-keto-ethyl]thio]methyl]benzoic acid Formula: C16H14FNO3S MolecularWeight: 319.350663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCC(=O)NC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSCC(=O)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H14FNO3S/c17-13-4-6-14(7-5-13)18-15(19)10-22-9-11-2-1-3-12(8-11)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)