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

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO5S MolecularWeight: 544.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C26H26BrNO5S/c1-4-31-20-11-7-17(8-12-20)21-16-34-25(24(21)26(30)33-6-3)28-23(29)14-9-18-15-19(27)10-13-22(18)32-5-2/h7-16H,4-6H2,1-3H3,(H,28,29)