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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19NO3S/c1-16(2,3)13(18)10-20-15(19)9-8-14-17-11-6-4-5-7-12(11)21-14/h4-7H,8-10H2,1-3H3