(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C15H12BrN3O4S MolecularWeight: 410.24248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O4S/c1-2-22-15(21)12-11(10(4-17)13(18)24-12)7-23-14(20)8-3-9(16)6-19-5-8/h3,5-6H,2,7,18H2,1H3