ethyl 5-azanyl-4-cyano-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H13N3O3S2/c1-2-20-14(18)12-10(9(7-15)13(16)22-12)8-21-11-5-3-4-6-17(11)19/h3-6H,2,8,16H2,1H3