3-[2-(dihydroxyboranyl)-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-[[4-oxo-4-(2-thienyl)butanoyl]amino]ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-[[4-keto-4-(2-thienyl)butanoyl]amino]ethyl]-2-hydroxy-benzoic acid Formula: C17H18BNO7S MolecularWeight: 391.20332

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CCC(=O)C2=CC=CS2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CCC(=O)C2=CC=CS2)(O)O

InChI

InChI=1S/C17H18BNO7S/c20-12(13-5-2-8-27-13)6-7-15(21)19-14(18(25)26)9-10-3-1-4-11(16(10)22)17(23)24/h1-5,8,14,22,25-26H,6-7,9H2,(H,19,21)(H,23,24)