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

Systemtic Name: methyl 2-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-butoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-butoxyphenyl)acryloyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1/C=C/C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC

InChI

InChI=1S/C28H31NO5S/c1-5-7-18-34-23-11-9-8-10-20(23)14-17-24(30)29-27-26(28(31)32-4)25(19(3)35-27)21-12-15-22(16-13-21)33-6-2/h8-17H,5-7,18H2,1-4H3,(H,29,30)/b17-14+