ethyl 5-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H23BrN2O5S MolecularWeight: 555.44022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrN2O5S/c1-4-33-26(31)24-16(2)19(14-28)25(35-24)29-22(30)11-10-18-12-20(27)23(21(13-18)32-3)34-15-17-8-6-5-7-9-17/h5-13H,4,15H2,1-3H3,(H,29,30)