S-(7-oxidanylidene-7-phenylazanyl-heptyl) 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-(7-anilino-7-oxo-heptyl) 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C15H18F3NO2S MolecularWeight: 333.36913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCSC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCSC(=O)C(F)(F)F

InChI

InChI=1S/C15H18F3NO2S/c16-15(17,18)14(21)22-11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,20)