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

Systemtic Name: diethyl 5-[3-cyano-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-cyano-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[3-cyano-4-(3-methoxy-4-prop-2-ynoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-cyano-4-(3-methoxy-4-prop-2-ynoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-cyano-2-keto-4-(3-methoxy-4-propargyloxy-phenyl)but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H25NO7S MolecularWeight: 495.5442

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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)OCC#C)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO7S/c1-6-11-34-20-10-9-17(13-21(20)31-5)12-18(15-27)19(28)14-22-23(25(29)32-7-2)16(4)24(35-22)26(30)33-8-3/h1,9-10,12-13H,7-8,11,14H2,2-5H3