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

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

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

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