[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-16(19-10-6-4-7-11-19)24-21(27)14-29-22(28)15-30-23-17(2)25-26(18(23)3)20-12-8-5-9-13-20/h4-13,16H,14-15H2,1-3H3,(H,24,27)/t16-/m0/s1