ethyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC)OCC

InChI

InChI=1S/C28H31NO5S/c1-4-7-17-34-23-15-13-20(18-24(23)32-5-2)14-16-25(30)29-27-26(28(31)33-6-3)22(19-35-27)21-11-9-8-10-12-21/h8-16,18-19H,4-7,17H2,1-3H3,(H,29,30)/b16-14+