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

Systemtic Name: ethyl 2-[[(E)-3-(4-acetyloxy-3-bromanyl-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-acetoxy-3-bromo-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-acetyloxy-3-bromo-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-acetyloxy-3-bromo-5-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-acetoxy-3-bromo-5-methoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H17BrN2O6S MolecularWeight: 493.32778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O6S/c1-4-28-20(26)14-5-6-30-19(14)23-18(25)13(10-22)7-12-8-15(21)17(29-11(2)24)16(9-12)27-3/h5-9H,4H2,1-3H3,(H,23,25)/b13-7+