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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-3-(p-tolyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H18BrNO3S MolecularWeight: 456.35222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C22H18BrNO3S/c1-14-3-5-15(6-4-14)7-12-19(25)24-21-20(22(26)27-2)18(13-28-21)16-8-10-17(23)11-9-16/h3-13H,1-2H3,(H,24,25)/b12-7+