methyl 2-[6-bromanyl-2-(2-chloranyl-5-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(2-chloranyl-5-nitro-phenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2-chloro-5-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(2-chloro-5-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2-chloro-5-nitro-benzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H11BrClN3O5S MolecularWeight: 484.70834

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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(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11BrClN3O5S/c1-27-15(23)8-21-13-5-2-9(18)6-14(13)28-17(21)20-16(24)11-7-10(22(25)26)3-4-12(11)19/h2-7H,8H2,1H3