ethyl 5-cyano-2-methyl-6-[2-(3-nitrophenoxy)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-(3-nitrophenoxy)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-(3-nitrophenoxy)ethylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[2-(3-nitrophenoxy)ethylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-(3-nitrophenoxy)ethylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[2-(3-nitrophenoxy)ethylthio]nicotinic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCOC2=CC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCCOC2=CC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O5S/c1-3-25-18(22)16-9-13(11-19)17(20-12(16)2)27-8-7-26-15-6-4-5-14(10-15)21(23)24/h4-6,9-10H,3,7-8H2,1-2H3