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

Systemtic Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C=CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)/C=C/C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H20BrNO3S/c1-4-15-12(3)25-18(17(15)19(23)24-5-2)21-16(22)11-8-13-6-9-14(20)10-7-13/h6-11H,4-5H2,1-3H3,(H,21,22)/b11-8+