ethyl 4-(4-bromophenyl)-2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H25BrN2O4S MolecularWeight: 553.4674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C27H25BrN2O4S/c1-3-5-14-34-22-12-6-18(7-13-22)15-20(16-29)25(31)30-26-24(27(32)33-4-2)23(17-35-26)19-8-10-21(28)11-9-19/h6-13,15,17H,3-5,14H2,1-2H3,(H,30,31)