2-[8-ethyl-4-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[8-ethyl-4-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[8-ethyl-4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[8-ethyl-4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[8-ethyl-4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[8-ethyl-4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C20H17FN2O4S MolecularWeight: 400.423383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)N(C(=O)C(O2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CCC1=C2C(=CC=C1)N(C(=O)C(O2)CC(=O)O)CC3=NC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C20H17FN2O4S/c1-2-11-4-3-5-14-19(11)27-15(9-18(24)25)20(26)23(14)10-17-22-13-8-12(21)6-7-16(13)28-17/h3-8,15H,2,9-10H2,1H3,(H,24,25)