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

Systemtic Name: methyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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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=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4S/c1-4-5-15-33-22-13-11-19(12-14-22)16-21(17-28)25(30)29-26-24(27(31)32-3)23(18(2)34-26)20-9-7-6-8-10-20/h6-14,16H,4-5,15H2,1-3H3,(H,29,30)