methyl 3-(6-bromanyl-2-ethanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-bromanyl-2-ethanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-acetylimino-6-bromo-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CCC(=O)OC

Isomeric SMILES

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CCC(=O)OC

InChI

InChI=1S/C13H13BrN2O3S/c1-8(17)15-13-16(6-5-12(18)19-2)10-4-3-9(14)7-11(10)20-13/h3-4,7H,5-6H2,1-2H3