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

Systemtic Name: methyl 2-[6-bromanyl-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(2-iodophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H12BrIN2O3S MolecularWeight: 531.16225

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3I

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C17H12BrIN2O3S/c1-24-15(22)9-21-13-7-6-10(18)8-14(13)25-17(21)20-16(23)11-4-2-3-5-12(11)19/h2-8H,9H2,1H3