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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[3-(4-isopropylphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3-p-cumenylacryloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H24BrNO3S MolecularWeight: 498.43196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C=CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H24BrNO3S/c1-4-30-25(29)23-21(19-10-12-20(26)13-11-19)15-31-24(23)27-22(28)14-7-17-5-8-18(9-6-17)16(2)3/h5-16H,4H2,1-3H3,(H,27,28)