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

Systemtic Name: ethyl 2-[6-bromanyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H19BrN2O3S2 MolecularWeight: 479.41046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S2/c1-2-26-19(25)13-23-16-9-8-14(21)12-17(16)28-20(23)22-18(24)10-11-27-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3