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

Systemtic Name: methyl 2-[6-bromanyl-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-(2-benzoylimino-6-bromo-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-benzoylimino-6-bromo-1,3-benzothiazol-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-benzoylimino-6-bromo-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-benzoylimino-6-bromo-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c1-23-15(21)10-20-13-8-7-12(18)9-14(13)24-17(20)19-16(22)11-5-3-2-4-6-11/h2-9H,10H2,1H3