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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C31H34N2O5S MolecularWeight: 546.67706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC)C(=O)OC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)CC)C(=O)OC)OC

InChI

InChI=1S/C31H34N2O5S/c1-5-7-8-9-16-38-26-15-12-22(18-27(26)36-3)17-24(19-32)29(34)33-30-28(31(35)37-4)25(20-39-30)23-13-10-21(6-2)11-14-23/h10-15,17-18,20H,5-9,16H2,1-4H3,(H,33,34)/b24-17+