methyl 2-[[(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-benzyloxy-5-bromo-phenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-benzoxy-5-bromo-phenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)/C#N)C(=O)OC

InChI

InChI=1S/C26H23BrN2O4S/c1-16(2)23-13-21(26(31)32-3)25(34-23)29-24(30)19(14-28)11-18-12-20(27)9-10-22(18)33-15-17-7-5-4-6-8-17/h4-13,16H,15H2,1-3H3,(H,29,30)/b19-11+