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

Systemtic Name: ethyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC)C(=O)OCC

InChI

InChI=1S/C20H22BrNO5S/c1-5-13-11-14(20(24)27-6-2)19(28-13)22-17(23)8-7-12-9-15(21)18(26-4)16(10-12)25-3/h7-11H,5-6H2,1-4H3,(H,22,23)