3-chloranyl-2-[5-ethanoyl-3-(4-fluorophenyl)sulfanyl-4-methyl-2-oxidanylidene-pyridin-1-yl]benzoic acid

Systemtic Name: 3-chloranyl-2-[5-ethanoyl-3-(4-fluorophenyl)sulfanyl-4-methyl-2-oxidanylidene-pyridin-1-yl]benzoic acid Openeye Name: 2-[5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-2-oxo-1-pyridyl]-3-chloro-benzoic acid CAS Name: 2-[5-acetyl-3-[(4-fluorophenyl)thio]-4-methyl-2-oxo-1-pyridinyl]-3-chlorobenzoic acid IUPAC Name: 2-[5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-2-oxopyridin-1-yl]-3-chlorobenzoic acid Traditional Name: 2-[5-acetyl-3-[(4-fluorophenyl)thio]-2-keto-4-methyl-1-pyridyl]-3-chloro-benzoic acid Formula: C21H15ClFNO4S MolecularWeight: 431.864503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C=C1C(=O)C)C2=C(C=CC=C2Cl)C(=O)O)SC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C=C1C(=O)C)C2=C(C=CC=C2Cl)C(=O)O)SC3=CC=C(C=C3)F

InChI

InChI=1S/C21H15ClFNO4S/c1-11-16(12(2)25)10-24(18-15(21(27)28)4-3-5-17(18)22)20(26)19(11)29-14-8-6-13(23)7-9-14/h3-10H,1-2H3,(H,27,28)