ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-3-23-10-14(20)16(22-23)17(24)21-18-15(19(25)26-4-2)13(11-27-18)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,21,24)