ethyl 2-oxidanylidene-4-phenyl-1-(phenylcarbonyl)-5-(phenylsulfonyl)-6-sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-1-(phenylcarbonyl)-5-(phenylsulfonyl)-6-sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-(benzenesulfonyl)-1-benzoyl-2-oxo-4-phenyl-6-sulfanyl-pyridine-3-carboxylate CAS Name: 5-(benzenesulfonyl)-1-benzoyl-6-mercapto-2-oxo-4-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzenesulfonyl)-1-benzoyl-2-oxo-4-phenyl-6-sulfanylpyridine-3-carboxylate Traditional Name: 1-benzoyl-5-besyl-2-keto-6-mercapto-4-phenyl-nicotinic acid ethyl ester Formula: C27H21NO6S2 MolecularWeight: 519.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N(C1=O)C(=O)C2=CC=CC=C2)S)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N(C1=O)C(=O)C2=CC=CC=C2)S)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21NO6S2/c1-2-34-27(31)22-21(18-12-6-3-7-13-18)23(36(32,33)20-16-10-5-11-17-20)26(35)28(25(22)30)24(29)19-14-8-4-9-15-19/h3-17,35H,2H2,1H3