2-[4-[[6-chloranyl-5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[[6-chloranyl-5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(6-chloro-5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-[(6-chloro-5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-[(6-chloro-5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-[(6-chloro-5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C18H11ClF2N2O4S MolecularWeight: 424.805746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)O)CC3=NC4=CC(=C(C(=C4S3)F)Cl)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)O)CC3=NC4=CC(=C(C(=C4S3)F)Cl)F

InChI

InChI=1S/C18H11ClF2N2O4S/c19-15-8(20)5-9-17(16(15)21)28-13(22-9)7-23-10-3-1-2-4-11(10)27-12(18(23)26)6-14(24)25/h1-5,12H,6-7H2,(H,24,25)