ethyl 5-azanyl-3-[[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H19BrN2O6S/c1-3-28-20(26)18-14(13(9-22)19(23)30-18)10-29-17(25)7-5-15(24)12-8-11(21)4-6-16(12)27-2/h4,6,8H,3,5,7,10,23H2,1-2H3