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

Systemtic Name: 2-[4-[(4-fluoranyl-1,3-benzothiazol-2-yl)methyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C19H15FN2O4S MolecularWeight: 386.396803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CC3=NC4=C(C=CC=C4S3)F)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(C(=O)N2CC3=NC4=C(C=CC=C4S3)F)CC(=O)O

InChI

InChI=1S/C19H15FN2O4S/c1-10-5-6-13-12(7-10)22(19(25)14(26-13)8-17(23)24)9-16-21-18-11(20)3-2-4-15(18)27-16/h2-7,14H,8-9H2,1H3,(H,23,24)