[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H20FNO4S/c1-27-12-15-18-16(23)8-5-9-17(18)29-20(15)22(26)28-19(13-6-3-2-4-7-13)21(25)24-14-10-11-14/h2-9,14,19H,10-12H2,1H3,(H,24,25)/t19-/m0/s1