2-[6-methylsulfanyl-2-oxidanylidene-1-phenyl-5-(phenylcarbonyl)-3,4-dihydropyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-methylsulfanyl-2-oxidanylidene-1-phenyl-5-(phenylcarbonyl)-3,4-dihydropyridin-3-yl]ethanoic acid Openeye Name: 2-(5-benzoyl-6-methylsulfanyl-2-oxo-1-phenyl-3,4-dihydropyridin-3-yl)acetic acid CAS Name: 2-[5-benzoyl-6-(methylthio)-2-oxo-1-phenyl-3,4-dihydropyridin-3-yl]acetic acid IUPAC Name: 2-(5-benzoyl-6-methylsulfanyl-2-oxo-1-phenyl-3,4-dihydropyridin-3-yl)acetic acid Traditional Name: 2-[5-benzoyl-2-keto-6-(methylthio)-1-phenyl-3,4-dihydropyridin-3-yl]acetic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(CC(C(=O)N1C2=CC=CC=C2)CC(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(CC(C(=O)N1C2=CC=CC=C2)CC(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S/c1-27-21-17(19(25)14-8-4-2-5-9-14)12-15(13-18(23)24)20(26)22(21)16-10-6-3-7-11-16/h2-11,15H,12-13H2,1H3,(H,23,24)