ethyl 4-(4-bromophenyl)-2-[3-(2-butoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[3-(2-butoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[3-(2-butoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[3-(2-butoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[3-(2-butoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO4S MolecularWeight: 528.45794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C26H26BrNO4S/c1-3-5-16-32-22-9-7-6-8-19(22)12-15-23(29)28-25-24(26(30)31-4-2)21(17-33-25)18-10-13-20(27)14-11-18/h6-15,17H,3-5,16H2,1-2H3,(H,28,29)