ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-methyl-pyrazol-4-yl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H21BrN4O3S MolecularWeight: 513.40684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C=C(C(=N1)C)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C23H21BrN4O3S/c1-4-28-12-17(14(3)27-28)10-16(11-25)21(29)26-22-20(23(30)31-5-2)19(13-32-22)15-6-8-18(24)9-7-15/h6-10,12-13H,4-5H2,1-3H3,(H,26,29)/b16-10+