ethyl 2-[(4-chloranyl-1-ethyl-pyrazol-3-yl)carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-1-ethyl-pyrazol-3-yl)carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-4-25-12-16(22)18(24-25)19(26)23-20-15(21(27)28-5-2)11-17(29-20)13(3)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3,(H,23,26)