ethyl 4-cyano-5-[3-cyano-2-oxidanylidene-4-(3-prop-2-enoxyphenyl)but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-2-oxidanylidene-4-(3-prop-2-enoxyphenyl)but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(3-allyloxyphenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-2-oxo-4-(3-prop-2-enoxyphenyl)but-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-2-oxo-4-(3-prop-2-enoxyphenyl)but-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(3-allyloxyphenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC=C2)OCC=C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC=C2)OCC=C)C#N)C#N)C

InChI

InChI=1S/C23H20N2O4S/c1-4-9-29-18-8-6-7-16(11-18)10-17(13-24)20(26)12-21-19(14-25)15(3)22(30-21)23(27)28-5-2/h4,6-8,10-11H,1,5,9,12H2,2-3H3