[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C19H19N3O3S/c1-14(18(23)20-12-17-4-2-11-26-17)25-19(24)16-7-5-15(6-8-16)13-22-10-3-9-21-22/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1