ethyl 5-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Br)C#N)C

InChI

InChI=1S/C20H17BrN4O3S/c1-3-28-20(27)17-12(2)16(8-22)19(29-17)24-18(26)14-6-4-5-13(7-14)10-25-11-15(21)9-23-25/h4-7,9,11H,3,10H2,1-2H3,(H,24,26)