5-(7-chloranyl-3-oxidanylidene-1,4-benzothiazin-4-yl)pentylboronic acid

Systemtic Name: 5-(7-chloranyl-3-oxidanylidene-1,4-benzothiazin-4-yl)pentylboronic acid Openeye Name: 5-(7-chloro-3-oxo-1,4-benzothiazin-4-yl)pentylboronic acid CAS Name: 5-(7-chloro-3-oxo-1,4-benzothiazin-4-yl)pentylboronic acid IUPAC Name: 5-(7-chloro-3-oxo-1,4-benzothiazin-4-yl)pentylboronic acid Traditional Name: 5-(7-chloro-3-keto-1,4-benzothiazin-4-yl)pentylboronic acid Formula: C13H17BClNO3S MolecularWeight: 313.60798

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCN1C(=O)CSC2=C1C=CC(=C2)Cl)(O)O

Isomeric SMILES

B(CCCCCN1C(=O)CSC2=C1C=CC(=C2)Cl)(O)O

InChI

InChI=1S/C13H17BClNO3S/c15-10-4-5-11-12(8-10)20-9-13(17)16(11)7-3-1-2-6-14(18)19/h4-5,8,18-19H,1-3,6-7,9H2