2-azanyl-2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)-4-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)-4-oxidanylidene-heptanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-2-amino-3-(4-fluorophenyl)-4-oxo-heptanoic acid CAS Name: 2-[(acetylthio)methyl]-2-amino-3-(4-fluorophenyl)-4-oxoheptanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-2-amino-3-(4-fluorophenyl)-4-oxoheptanoic acid Traditional Name: 2-[(acetylthio)methyl]-2-amino-3-(4-fluorophenyl)-4-keto-enanthic acid Formula: C16H20FNO4S MolecularWeight: 341.397703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC=C(C=C1)F)C(CSC(=O)C)(C(=O)O)N

Isomeric SMILES

CCCC(=O)C(C1=CC=C(C=C1)F)C(CSC(=O)C)(C(=O)O)N

InChI

InChI=1S/C16H20FNO4S/c1-3-4-13(20)14(11-5-7-12(17)8-6-11)16(18,15(21)22)9-23-10(2)19/h5-8,14H,3-4,9,18H2,1-2H3,(H,21,22)