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

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H24BrNO5S MolecularWeight: 530.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C25H24BrNO5S/c1-4-31-21-12-9-18(26)14-17(21)8-13-22(28)27-24-23(25(29)32-5-2)20(15-33-24)16-6-10-19(30-3)11-7-16/h6-15H,4-5H2,1-3H3,(H,27,28)