[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3,3-dimethylbutanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3,3-dimethylbutanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)C(=C1N(C2=CC=CC=C2S1)C)C#N

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)/C(=C\1/N(C2=CC=CC=C2S1)C)/C#N

InChI

InChI=1S/C18H20N2O3S/c1-18(2,3)9-16(22)23-11-14(21)12(10-19)17-20(4)13-7-5-6-8-15(13)24-17/h5-8H,9,11H2,1-4H3/b17-12-