[(1S)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [(1S)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(1S)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)NC3CC3)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)O[C@@H](C2=CC=C(C=C2)F)C(=O)NC3CC3)C

InChI

InChI=1S/C20H22FNO3S/c1-3-4-14-11-17(26-12(14)2)20(24)25-18(19(23)22-16-9-10-16)13-5-7-15(21)8-6-13/h5-8,11,16,18H,3-4,9-10H2,1-2H3,(H,22,23)/t18-/m0/s1