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

Systemtic Name: 3-[(5-formamido-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-formamido-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-formamido-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methylthio]propanoic acid IUPAC Name: 3-[(5-formamido-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-formamido-2,4,6,7-tetramethyl-coumaran-2-yl)methylthio]propionic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-10-11(2)16-13(12(3)15(10)18-9-19)7-17(4,22-16)8-23-6-5-14(20)21/h9H,5-8H2,1-4H3,(H,18,19)(H,20,21)