ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H21BrN2O4S/c1-5-27-20(26)16-12(2)17(19(25)23(3)4)28-18(16)22-15(24)11-8-13-6-9-14(21)10-7-13/h6-11H,5H2,1-4H3,(H,22,24)/b11-8+