methyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(=CC3=CC(=C(C=C3)OCC)OC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)/C(=C/C3=CC(=C(C=C3)OCC)OC)/C#N

InChI

InChI=1S/C27H26N2O5S/c1-5-17-7-10-19(11-8-17)21-16-35-26(24(21)27(31)33-4)29-25(30)20(15-28)13-18-9-12-22(34-6-2)23(14-18)32-3/h7-14,16H,5-6H2,1-4H3,(H,29,30)/b20-13+