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

Systemtic Name: diethyl 5-[4-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[4-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H24ClNO7S MolecularWeight: 529.98926

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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(=C2)Cl)OCC#C)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)CC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC#C)OC)C#N

InChI

InChI=1S/C26H24ClNO7S/c1-6-9-35-23-18(27)11-16(12-20(23)32-5)10-17(14-28)19(29)13-21-22(25(30)33-7-2)15(4)24(36-21)26(31)34-8-3/h1,10-12H,7-9,13H2,2-5H3