tert-butyl (4Z)-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl (4Z)-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-2-ethyl-3-oxidanylidene-butanoate Openeye Name: tert-butyl (4Z)-4-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-2-ethyl-3-oxo-butanoate CAS Name: (4Z)-4-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-2-ethyl-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (4Z)-4-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-2-ethyl-3-oxobutanoate Traditional Name: (4Z)-4-(1,1-diketo-1,2-benzothiazol-3-ylidene)-2-ethyl-3-keto-butyric acid tert-butyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C=C1C2=CC=CC=C2S(=O)(=O)N1)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(=O)/C=C\1/C2=CC=CC=C2S(=O)(=O)N1)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21NO5S/c1-5-11(16(20)23-17(2,3)4)14(19)10-13-12-8-6-7-9-15(12)24(21,22)18-13/h6-11,18H,5H2,1-4H3/b13-10-