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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-methyl-3-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-methylpyrazol-3-yl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(=CC3=CC=NN3C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)/C(=C/C3=CC=NN3C)/C#N

InChI

InChI=1S/C21H17BrN4O3S/c1-3-29-21(28)18-17(13-4-6-15(22)7-5-13)12-30-20(18)25-19(27)14(11-23)10-16-8-9-24-26(16)2/h4-10,12H,3H2,1-2H3,(H,25,27)/b14-10+