ethyl 2-azanyl-5-cyano-6-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylate CAS Name: 2-amino-5-cyano-6-[2-(3-methylphenoxy)ethylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[2-(3-methylphenoxy)ethylthio]nicotinic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCOC2=CC=CC(=C2)C)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCOC2=CC=CC(=C2)C)N

InChI

InChI=1S/C18H19N3O3S/c1-3-23-18(22)15-10-13(11-19)17(21-16(15)20)25-8-7-24-14-6-4-5-12(2)9-14/h4-6,9-10H,3,7-8H2,1-2H3,(H2,20,21)