ethyl 2-[(1-ethylpyrazol-3-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethylpyrazol-3-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(1-ethyl-3-pyrazolyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

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