[(2Z)-3-ethyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-5-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2Z)-3-ethyl-2-(2-oxidanylidenepropylidene)-1,3-benzothiazol-5-yl] 2,2-dimethylpropanoate Openeye Name: [(2Z)-2-acetonylidene-3-ethyl-1,3-benzothiazol-5-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] ester IUPAC Name: [(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2Z)-2-acetonylidene-3-ethyl-1,3-benzothiazol-5-yl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC(=O)C(C)(C)C)SC1=CC(=O)C

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)OC(=O)C(C)(C)C)S/C1=C\C(=O)C

InChI

InChI=1S/C17H21NO3S/c1-6-18-13-10-12(21-16(20)17(3,4)5)7-8-14(13)22-15(18)9-11(2)19/h7-10H,6H2,1-5H3/b15-9-