methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl 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(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C27H25BrN2O4S/c1-4-5-14-34-22-12-6-18(7-13-22)15-20(16-29)25(31)30-26-24(27(32)33-3)23(17(2)35-26)19-8-10-21(28)11-9-19/h6-13,15H,4-5,14H2,1-3H3,(H,30,31)/b20-15+