ethyl 5-cyano-2-methyl-6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(2-methyl-3-nitrophenyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2-methyl-3-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(2-methyl-3-nitro-benzyl)thio]nicotinic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(22)15-8-14(9-19)17(20-12(15)3)26-10-13-6-5-7-16(11(13)2)21(23)24/h5-8H,4,10H2,1-3H3