ethyl 4-(4-methylphenyl)-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-propoxyphenyl)prop-2-enoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 2-[[3-(2-propoxyphenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

InChI

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