methyl 1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-oxidanylidene-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-oxidanylidene-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl 1-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate CAS Name: 1-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-oxo-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: 1-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-2-keto-4-phenyl-6-(4-sulfamoylphenyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C28H26ClFN2O5S2 MolecularWeight: 589.097843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C=C(N(C1=O)CCSCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C(C=C(N(C1=O)CCSCC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C28H26ClFN2O5S2/c1-37-28(34)26-21(18-6-3-2-4-7-18)16-25(19-10-12-20(13-11-19)39(31,35)36)32(27(26)33)14-15-38-17-22-23(29)8-5-9-24(22)30/h2-13,16,21,26H,14-15,17H2,1H3,(H2,31,35,36)