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

Systemtic Name: ethyl 2-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-5-[(1R)-1-phenylethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylic acid ethyl ester Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3=NN(C=C3Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[C@H](C)C2=CC=CC=C2)NC(=O)C3=NN(C=C3Br)C

InChI

InChI=1S/C20H20BrN3O3S/c1-4-27-20(26)14-10-16(12(2)13-8-6-5-7-9-13)28-19(14)22-18(25)17-15(21)11-24(3)23-17/h5-12H,4H2,1-3H3,(H,22,25)/t12-/m1/s1