[(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NCCOC)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-14(19(24)21-10-11-26-2)27-20(25)17-13-16(18-9-6-12-28-18)22-23(17)15-7-4-3-5-8-15/h3-9,12-14H,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1