diethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO5S/c1-4-26-19(24)16-12(3)17(20(25)27-5-2)28-18(16)22-15(23)11-8-13-6-9-14(21)10-7-13/h6-11H,4-5H2,1-3H3,(H,22,23)/b11-8+