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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-3-(2-pentoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(2-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-amoxyphenyl)-2-cyano-acryloyl]amino]-4-(4-bromophenyl)thiophene-3-carboxylic acid methyl ester Formula: C27H25BrN2O4S MolecularWeight: 553.4674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C27H25BrN2O4S/c1-3-4-7-14-34-23-9-6-5-8-19(23)15-20(16-29)25(31)30-26-24(27(32)33-2)22(17-35-26)18-10-12-21(28)13-11-18/h5-6,8-13,15,17H,3-4,7,14H2,1-2H3,(H,30,31)/b20-15+