[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC(=O)N[C@@H](C)C3=CC=CS3

InChI

InChI=1S/C21H23N3O3S/c1-14-18(16(3)24(23-14)17-8-5-4-6-9-17)12-21(26)27-13-20(25)22-15(2)19-10-7-11-28-19/h4-11,15H,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1