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

Systemtic Name: ethyl 5-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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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)OC)OC)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O5S/c1-5-28-20(25)18-11(2)13(10-22)19(29-18)23-16(24)7-6-12-8-14(21)17(27-4)15(9-12)26-3/h6-9H,5H2,1-4H3,(H,23,24)