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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylpyrazol-4-yl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H19BrN4O3S/c1-3-27-12-14(11-25-27)9-16(10-24)20(28)26-21-19(22(29)30-4-2)18(13-31-21)15-5-7-17(23)8-6-15/h5-9,11-13H,3-4H2,1-2H3,(H,26,28)/b16-9+