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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C26H23BrN2O4S/c1-4-13-33-21-11-5-17(6-12-21)14-19(15-28)24(30)29-25-23(26(31)32-3)22(16(2)34-25)18-7-9-20(27)10-8-18/h5-12,14H,4,13H2,1-3H3,(H,29,30)/b19-14+