(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(3-fluorobenzyl)-N-methyl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H25FN2O3S/c1-24(14-16-7-6-8-17(22)13-16)21(26)19(11-12-28-2)23-20(25)15-27-18-9-4-3-5-10-18/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,23,25)/t19-/m0/s1