ethyl 5-[4-[3,5-bis(bromanyl)-2-methoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[3,5-bis(bromanyl)-2-methoxy-phenyl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(3,5-dibromo-2-methoxy-phenyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(3,5-dibromo-2-methoxyphenyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(3,5-dibromo-2-methoxyphenyl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-4-(3,5-dibromo-2-methoxy-phenyl)-2-keto-but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H16Br2N2O4S MolecularWeight: 552.23574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2OC)Br)Br)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2OC)Br)Br)C#N)C#N)C

InChI

InChI=1S/C21H16Br2N2O4S/c1-4-29-21(27)20-11(2)15(10-25)18(30-20)8-17(26)13(9-24)5-12-6-14(22)7-16(23)19(12)28-3/h5-7H,4,8H2,1-3H3