dimethyl 5-[[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H19BrN2O7S MolecularWeight: 523.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)Br)O

InChI

InChI=1S/C21H19BrN2O7S/c1-5-31-14-8-11(7-13(22)16(14)25)6-12(9-23)18(26)24-19-15(20(27)29-3)10(2)17(32-19)21(28)30-4/h6-8,25H,5H2,1-4H3,(H,24,26)/b12-6+