methyl 3-[3-[(2-azanyl-3-sulfanyl-propanoyl)amino]phenoxy]benzoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 3-[3-[(2-azanyl-3-sulfanyl-propanoyl)amino]phenoxy]benzoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 3-[3-[(2-amino-3-sulfanyl-propanoyl)amino]phenoxy]benzoate; 2,2,2-trifluoroacetic acid CAS Name: 3-[3-[(2-amino-3-mercapto-1-oxopropyl)amino]phenoxy]benzoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 3-[3-[(2-amino-3-sulfanylpropanoyl)amino]phenoxy]benzoate; 2,2,2-trifluoroacetic acid Traditional Name: 3-[3-[(2-amino-3-mercapto-propanoyl)amino]phenoxy]benzoic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C19H19F3N2O6S MolecularWeight: 460.42417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)NC(=O)C(CS)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)NC(=O)C(CS)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H18N2O4S.C2HF3O2/c1-22-17(21)11-4-2-6-13(8-11)23-14-7-3-5-12(9-14)19-16(20)15(18)10-24;3-2(4,5)1(6)7/h2-9,15,24H,10,18H2,1H3,(H,19,20);(H,6,7)