2-azanyl-3-(3-tert-butyl-4-fluoranyl-phenyl)-4,4-bis(methylsulfanyl)but-3-enoic acid

Systemtic Name: 2-azanyl-3-(3-tert-butyl-4-fluoranyl-phenyl)-4,4-bis(methylsulfanyl)but-3-enoic acid Openeye Name: 2-amino-3-(3-tert-butyl-4-fluoro-phenyl)-4,4-bis(methylsulfanyl)but-3-enoic acid CAS Name: 2-amino-3-(3-tert-butyl-4-fluorophenyl)-4,4-bis(methylthio)-3-butenoic acid IUPAC Name: 2-amino-3-(3-tert-butyl-4-fluorophenyl)-4,4-bis(methylsulfanyl)but-3-enoic acid Traditional Name: 2-amino-3-(3-tert-butyl-4-fluoro-phenyl)-4,4-bis(methylthio)but-3-enoic acid Formula: C16H22FNO2S2 MolecularWeight: 343.479783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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