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

Systemtic Name: methyl 2-[[6-bromanyl-5-(5-tert-butyl-2-oxidanylidene-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-5-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-bromo-5-(5-tert-butyl-2-keto-1,3,4-oxadiazol-3-yl)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C16H16BrN3O4S2 MolecularWeight: 458.34994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C3C(=C2)N=C(S3)SCC(=O)OC)Br

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C3C(=C2)N=C(S3)SCC(=O)OC)Br

InChI

InChI=1S/C16H16BrN3O4S2/c1-16(2,3)13-19-20(15(22)24-13)10-6-9-11(5-8(10)17)26-14(18-9)25-7-12(21)23-4/h5-6H,7H2,1-4H3