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

Systemtic Name: methyl 2-[6-bromanyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17BrN2O3S2 MolecularWeight: 465.38388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O3S2/c1-25-18(24)12-22-15-8-7-13(20)11-16(15)27-19(22)21-17(23)9-10-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3