ethyl 3-[[6-bromanyl-5-(5-tert-butyl-2-oxidanylidene-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate

Systemtic Name: ethyl 3-[[6-bromanyl-5-(5-tert-butyl-2-oxidanylidene-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[6-bromo-5-(5-tert-butyl-2-keto-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]thio]propionic acid ethyl ester Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC2=CC(=C(C=C2S1)Br)N3C(=O)OC(=N3)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCSC1=NC2=CC(=C(C=C2S1)Br)N3C(=O)OC(=N3)C(C)(C)C

InChI

InChI=1S/C18H20BrN3O4S2/c1-5-25-14(23)6-7-27-16-20-11-9-12(10(19)8-13(11)28-16)22-17(24)26-15(21-22)18(2,3)4/h8-9H,5-7H2,1-4H3