2-[N-(4-ethoxyphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[N-(4-ethoxyphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[N-(4-ethoxyphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(4-ethoxyphenyl)sulfonylimino-phenylmethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[N-(4-ethoxyphenyl)sulfonyl-C-phenylcarbonimidoyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[(C-phenyl-N-p-phenetylsulfonyl-carbonimidoyl)thio]nicotinate Formula: C21H17N2O5S2- MolecularWeight: 441.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C21H18N2O5S2/c1-2-28-16-10-12-17(13-11-16)30(26,27)23-19(15-7-4-3-5-8-15)29-20-18(21(24)25)9-6-14-22-20/h3-14H,2H2,1H3,(H,24,25)/p-1