ethyl 5-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H21N3O3S/c1-3-16-11-17(20(25)26-4-2)19(27-16)22-18(24)10-14-12-21-23(13-14)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,24)