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

Systemtic Name: diethyl 5-[(2-bromanyl-3-phenyl-prop-2-enoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-bromo-3-phenyl-prop-2-enoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[(2-bromo-1-oxo-3-phenylprop-2-enyl)amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-bromo-3-phenylprop-2-enoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-bromo-3-phenyl-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=CC=C2)Br

Isomeric SMILES

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

InChI

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