diethyl 5-[3-cyano-4-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-cyano-4-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(5-isopropyl-4-methoxy-2-methyl-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-4-(5-isopropyl-4-methoxy-2-methyl-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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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(C=C2C)OC)C(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C=C2C)OC)C(C)C)C#N

InChI

InChI=1S/C27H31NO6S/c1-8-33-26(30)24-17(6)25(27(31)34-9-2)35-23(24)13-21(29)19(14-28)11-18-12-20(15(3)4)22(32-7)10-16(18)5/h10-12,15H,8-9,13H2,1-7H3