methyl 2-[2-[2,6-bis(fluoranyl)phenyl]carbonylimino-6-bromanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2,6-bis(fluoranyl)phenyl]carbonylimino-6-bromanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(2,6-difluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2,6-difluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(2,6-difluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2,6-difluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H11BrF2N2O3S MolecularWeight: 441.246646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H11BrF2N2O3S/c1-25-14(23)8-22-12-6-5-9(18)7-13(12)26-17(22)21-16(24)15-10(19)3-2-4-11(15)20/h2-7H,8H2,1H3