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

Systemtic Name: 2-[4-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-6-propyl-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-6-propyl-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-6-propyl-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-6-propyl-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-keto-6-propyl-1,4-benzoxazin-2-yl]acetic acid Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC(C(=O)N2CC3=NC4=C(S3)C=CC(=C4)F)CC(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC(C(=O)N2CC3=NC4=C(S3)C=CC(=C4)F)CC(=O)O

InChI

InChI=1S/C21H19FN2O4S/c1-2-3-12-4-6-16-15(8-12)24(21(27)17(28-16)10-20(25)26)11-19-23-14-9-13(22)5-7-18(14)29-19/h4-9,17H,2-3,10-11H2,1H3,(H,25,26)