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

Systemtic Name: diethyl 5-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24BrNO6S MolecularWeight: 510.39806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H24BrNO6S/c1-5-28-16-10-9-15(23)12-14(16)8-11-17(25)24-20-18(21(26)29-6-2)13(4)19(31-20)22(27)30-7-3/h8-12H,5-7H2,1-4H3,(H,24,25)