ethyl 5-[4-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)CC2=C(C(=C(S2)C(=O)OCC)C)C#N)Cl)OCC#C

InChI

InChI=1S/C25H21ClN2O5S/c1-5-8-33-23-19(26)10-16(11-21(23)31-6-2)9-17(13-27)20(29)12-22-18(14-28)15(4)24(34-22)25(30)32-7-3/h1,9-11H,6-8,12H2,2-4H3