4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 4-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-6-methyl-1,4-benzoxazin-3-one Formula: C17H12F2N2O2S MolecularWeight: 346.351186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC3=NC4=C(S3)C=CC(=C4F)F

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC3=NC4=C(S3)C=CC(=C4F)F

InChI

InChI=1S/C17H12F2N2O2S/c1-9-2-4-12-11(6-9)21(15(22)8-23-12)7-14-20-17-13(24-14)5-3-10(18)16(17)19/h2-6H,7-8H2,1H3