ethyl 2-methyl-2-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoate

Systemtic Name: ethyl 2-methyl-2-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoate Openeye Name: ethyl 2-methyl-2-(2-thioxo-1,3-benzothiazol-3-yl)butanoate CAS Name: 2-methyl-2-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoate Traditional Name: 2-methyl-2-(2-thioxo-1,3-benzothiazol-3-yl)butyric acid ethyl ester Formula: C14H17NO2S2 MolecularWeight: 295.42028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OCC)N1C2=CC=CC=C2SC1=S

Isomeric SMILES

CCC(C)(C(=O)OCC)N1C2=CC=CC=C2SC1=S

InChI

InChI=1S/C14H17NO2S2/c1-4-14(3,12(16)17-5-2)15-10-8-6-7-9-11(10)19-13(15)18/h6-9H,4-5H2,1-3H3