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

Systemtic Name: methyl 2-[[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-cyano-acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21BrN2O5S MolecularWeight: 541.41364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)Br)OC

InChI

InChI=1S/C25H21BrN2O5S/c1-4-33-20-12-15(11-19(26)22(20)31-2)10-17(14-27)23(29)28-24-18(25(30)32-3)13-21(34-24)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H,28,29)/b17-10+