[4-(trifluoromethyl)phenyl]methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [4-(trifluoromethyl)benzyl] ester Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C(F)(F)F)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C(F)(F)F)SCC(=O)N

InChI

InChI=1S/C17H14F3NO3S/c18-17(19,20)12-7-5-11(6-8-12)9-24-16(23)13-3-1-2-4-14(13)25-10-15(21)22/h1-8H,9-10H2,(H2,21,22)