2-[(Z)-N-(4-ethoxyphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(Z)-N-(4-ethoxyphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(Z)-N-(4-ethoxyphenyl)sulfonyl-C-phenyl-carbonimidoyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(Z)-(4-ethoxyphenyl)sulfonylimino-phenylmethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(Z)-N-(4-ethoxyphenyl)sulfonyl-C-phenylcarbonimidoyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(Z)-C-phenyl-N-p-phenetylsulfonyl-carbonimidoyl]thio]nicotinic acid Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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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)/b23-19-