(3,3-dimethyl-2-oxidanylidene-butyl) 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H21NO3S/c1-17(2,3)14(19)11-21-16(20)10-6-9-15-18-12-7-4-5-8-13(12)22-15/h4-5,7-8H,6,9-11H2,1-3H3