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

Systemtic Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethanoate Openeye Name: ethyl (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]acetate CAS Name: (2S)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]acetate Traditional Name: (2S)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[(E)-3-(2-thienyl)acryloyl]amino]acetic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H](C1=C(N(N=C1C)C2=CC=CC=C2)C)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H23N3O3S/c1-4-28-22(27)21(23-19(26)13-12-18-11-8-14-29-18)20-15(2)24-25(16(20)3)17-9-6-5-7-10-17/h5-14,21H,4H2,1-3H3,(H,23,26)/b13-12+/t21-/m0/s1