[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(S1)C2=CC=C(C=C2)F

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(S1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO3S/c1-3-10-19-16(20)11(2)22-17(21)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)/t11-/m0/s1