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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-chloranylpyridine-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C15H12ClN3O4S/c1-2-22-15(21)12-10(9(6-17)13(18)24-12)7-23-14(20)8-3-4-19-11(16)5-8/h3-5H,2,7,18H2,1H3