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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c1-3-22-16(21)12-11(10(7-17)13(18)25-12)8-23-15(20)9-5-4-6-19-14(9)24-2/h4-6H,3,8,18H2,1-2H3