ethyl 5-cyano-2-methyl-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]nicotinic acid ethyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC=CC2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S/C=C/C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O5S/c1-3-23-16(20)13-8-11(9-17)15(18-10(13)2)25-7-6-12-4-5-14(24-12)19(21)22/h4-8H,3H2,1-2H3/b7-6+