methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H16BrNO3S MolecularWeight: 442.32564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrNO3S/c1-26-21(25)19-17(15-5-3-2-4-6-15)13-27-20(19)23-18(24)12-9-14-7-10-16(22)11-8-14/h2-13H,1H3,(H,23,24)/b12-9+