S-[3-azanyl-2-[[2,4-bis(fluoranyl)phenyl]methyl]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-azanyl-2-[[2,4-bis(fluoranyl)phenyl]methyl]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-amino-2-[(2,4-difluorophenyl)methyl]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-amino-2-[(2,4-difluorophenyl)methyl]-3-oxopropyl] ester IUPAC Name: S-[3-amino-2-[(2,4-difluorophenyl)methyl]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-amino-2-(2,4-difluorobenzyl)-3-keto-propyl] ester Formula: C12H13F2NO2S MolecularWeight: 273.298926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=C(C=C(C=C1)F)F)C(=O)N

Isomeric SMILES

CC(=O)SCC(CC1=C(C=C(C=C1)F)F)C(=O)N

InChI

InChI=1S/C12H13F2NO2S/c1-7(16)18-6-9(12(15)17)4-8-2-3-10(13)5-11(8)14/h2-3,5,9H,4,6H2,1H3,(H2,15,17)