propan-2-yl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H17BrN4O3S/c1-12(2)29-21(28)17-7-8-30-20(17)25-19(27)14(10-23)9-15-11-24-26-18(15)13-3-5-16(22)6-4-13/h3-9,11-12H,1-2H3,(H,24,26)(H,25,27)/b14-9+