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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl pyrazine-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O4S/c1-2-21-14(20)11-9(8(5-15)12(16)23-11)7-22-13(19)10-6-17-3-4-18-10/h3-4,6H,2,7,16H2,1H3