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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl pyridine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-2-21-15(20)12-11(10(6-16)13(17)23-12)8-22-14(19)9-4-3-5-18-7-9/h3-5,7H,2,8,17H2,1H3