ethyl 5-azanyl-3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-bromo-2-chloro-phenoxy)methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[(4-bromo-2-chlorophenoxy)methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-bromo-2-chlorophenoxy)methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-bromo-2-chloro-phenoxy)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C15H12BrClN2O3S MolecularWeight: 415.68938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C15H12BrClN2O3S/c1-2-21-15(20)13-10(9(6-18)14(19)23-13)7-22-12-4-3-8(16)5-11(12)17/h3-5H,2,7,19H2,1H3