ethyl 5-(4-anthracen-9-yl-3-cyano-2-oxidanylidene-but-3-enyl)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-anthracen-9-yl-3-cyano-2-oxidanylidene-but-3-enyl)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(9-anthryl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-(9-anthracenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-anthracen-9-yl-3-cyano-2-oxobut-3-enyl)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(9-anthryl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H20N2O3S MolecularWeight: 464.535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C#N)C#N)C

InChI

InChI=1S/C28H20N2O3S/c1-3-33-28(32)27-17(2)24(16-30)26(34-27)14-25(31)20(15-29)13-23-21-10-6-4-8-18(21)12-19-9-5-7-11-22(19)23/h4-13H,3,14H2,1-2H3