ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(2-butoxyphenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H27NO4S/c1-3-5-17-31-22-14-10-9-13-20(22)15-16-23(28)27-25-24(26(29)30-4-2)21(18-32-25)19-11-7-6-8-12-19/h6-16,18H,3-5,17H2,1-2H3,(H,27,28)