2-[bis(methylsulfanyl)methylideneamino]-3-(3-tert-butyl-4-fluoranyl-phenyl)propanoic acid

Systemtic Name: 2-[bis(methylsulfanyl)methylideneamino]-3-(3-tert-butyl-4-fluoranyl-phenyl)propanoic acid Openeye Name: 2-[bis(methylsulfanyl)methyleneamino]-3-(3-tert-butyl-4-fluoro-phenyl)propanoic acid CAS Name: 2-[bis(methylthio)methylideneamino]-3-(3-tert-butyl-4-fluorophenyl)propanoic acid IUPAC Name: 2-[bis(methylsulfanyl)methylideneamino]-3-(3-tert-butyl-4-fluorophenyl)propanoic acid Traditional Name: 2-[bis(methylthio)methyleneamino]-3-(3-tert-butyl-4-fluoro-phenyl)propionic acid Formula: C16H22FNO2S2 MolecularWeight: 343.479783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CC(C(=O)O)N=C(SC)SC)F

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CC(C(=O)O)N=C(SC)SC)F

InChI

InChI=1S/C16H22FNO2S2/c1-16(2,3)11-8-10(6-7-12(11)17)9-13(14(19)20)18-15(21-4)22-5/h6-8,13H,9H2,1-5H3,(H,19,20)