3-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methylthio]propanoic acid IUPAC Name: 3-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-amino-2,4,6,7-tetramethyl-coumaran-2-yl)methylthio]propionic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CSCCC(=O)O)C)N

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CSCCC(=O)O)C)N

InChI

InChI=1S/C16H23NO3S/c1-9-10(2)15-12(11(3)14(9)17)7-16(4,20-15)8-21-6-5-13(18)19/h5-8,17H2,1-4H3,(H,18,19)