3-[6-methoxysulfanyl-5-(trifluoromethyl)naphthalen-1-yl]-2-(methylamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[6-methoxysulfanyl-5-(trifluoromethyl)naphthalen-1-yl]-2-(methylamino)-3-oxidanylidene-propanoic acid Openeye Name: 3-[6-methoxysulfanyl-5-(trifluoromethyl)-1-naphthyl]-2-(methylamino)-3-oxo-propanoic acid CAS Name: 3-[6-(methoxythio)-5-(trifluoromethyl)-1-naphthalenyl]-2-(methylamino)-3-oxopropanoic acid IUPAC Name: 3-[6-methoxysulfanyl-5-(trifluoromethyl)naphthalen-1-yl]-2-(methylamino)-3-oxopropanoic acid Traditional Name: 3-keto-3-[6-(methoxythio)-5-(trifluoromethyl)-1-naphthyl]-2-(methylamino)propionic acid Formula: C16H14F3NO4S MolecularWeight: 373.34687

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=O)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)SOC)C(=O)O

Isomeric SMILES

CNC(C(=O)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)SOC)C(=O)O

InChI

InChI=1S/C16H14F3NO4S/c1-20-13(15(22)23)14(21)10-5-3-4-9-8(10)6-7-11(25-24-2)12(9)16(17,18)19/h3-7,13,20H,1-2H3,(H,22,23)