diethyl 5-[4-(4-bromanyl-5-piperidin-1-yl-furan-2-yl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(4-bromanyl-5-piperidin-1-yl-furan-2-yl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-[4-bromo-5-(1-piperidyl)-2-furyl]-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-[4-bromo-5-(1-piperidinyl)-2-furanyl]-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(4-bromo-5-piperidin-1-ylfuran-2-yl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(4-bromo-5-piperidino-2-furyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H27BrN2O6S MolecularWeight: 563.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(O2)N3CCCCC3)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(O2)N3CCCCC3)Br)C#N

InChI

InChI=1S/C25H27BrN2O6S/c1-4-32-24(30)21-15(3)22(25(31)33-5-2)35-20(21)13-19(29)16(14-27)11-17-12-18(26)23(34-17)28-9-7-6-8-10-28/h11-12H,4-10,13H2,1-3H3