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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[3-(2-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H24BrNO4S MolecularWeight: 514.43136

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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)Br)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO4S/c1-3-15-31-21-8-6-5-7-18(21)11-14-22(28)27-24-23(25(29)30-4-2)20(16-32-24)17-9-12-19(26)13-10-17/h5-14,16H,3-4,15H2,1-2H3,(H,27,28)