diethyl 5-[4-(3-chloranyl-5-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-4-prop-2-ynoxyphenyl)-3-cyano-2-oxobut-3-enyl]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-3-cyano-2-keto-but-3-enyl]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H26ClNO7S MolecularWeight: 544.01584

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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(=O)OCC)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(=O)OCC)Cl)OCC#C

InChI

InChI=1S/C27H26ClNO7S/c1-6-10-36-24-19(28)12-17(13-21(24)33-7-2)11-18(15-29)20(30)14-22-23(26(31)34-8-3)16(5)25(37-22)27(32)35-9-4/h1,11-13H,7-10,14H2,2-5H3