[2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]nicotinic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c30-23(27-16-13-20-8-3-1-4-9-20)18-33-26(32)22-12-7-15-29-25(22)34-19-24(31)28-17-14-21-10-5-2-6-11-21/h1-12,15H,13-14,16-19H2,(H,27,30)(H,28,31)