2-[[2,6-bis(fluoranyl)phenyl]carbothioylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2,6-bis(fluoranyl)phenyl]carbothioylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,6-difluorobenzenecarbothioyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,6-difluorophenyl)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,6-difluorobenzenecarbothioyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,6-difluorothiobenzoyl)amino]-3-phenyl-propionic acid Formula: C16H13F2NO2S MolecularWeight: 321.341726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=S)C2=C(C=CC=C2F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=S)C2=C(C=CC=C2F)F

InChI

InChI=1S/C16H13F2NO2S/c17-11-7-4-8-12(18)14(11)15(22)19-13(16(20)21)9-10-5-2-1-3-6-10/h1-8,13H,9H2,(H,19,22)(H,20,21)