[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O3S/c1-13-12-27-18(23-13)16(10-22)17(24)11-26-19(25)20(8-2-3-9-20)14-4-6-15(21)7-5-14/h4-7,12,16H,2-3,8-9,11H2,1H3/t16-/m0/s1