methyl 2-[[(E)-3-(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-bromo-5-ethoxy-4-isopropoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-bromo-5-ethoxy-4-isopropoxy-phenyl)-2-cyano-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C24H27BrN2O5S MolecularWeight: 535.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2Br)OC(C)C)OCC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2Br)OC(C)C)OCC)/C#N)C(=O)OC

InChI

InChI=1S/C24H27BrN2O5S/c1-6-8-17-11-18(24(29)30-5)23(33-17)27-22(28)16(13-26)9-15-10-20(31-7-2)21(12-19(15)25)32-14(3)4/h9-12,14H,6-8H2,1-5H3,(H,27,28)/b16-9+