3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxidanidyl-4-sulfanylidene-butanoate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxidanidyl-4-sulfanylidene-butanoate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxido-4-thioxo-butanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxido-4-sulfanylidenebutanoate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxido-4-sulfanylidenebutanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,2-diethyl-4-oxido-4-thioxo-butyrate Formula: C15H15NO3S2-2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C1=NC2=CC=CC=C2S1)C(=S)[O-])C(=O)[O-]

Isomeric SMILES

CCC(CC)(C(C1=NC2=CC=CC=C2S1)C(=S)[O-])C(=O)[O-]

InChI

InChI=1S/C15H17NO3S2/c1-3-15(4-2,14(18)19)11(13(17)20)12-16-9-7-5-6-8-10(9)21-12/h5-8,11H,3-4H2,1-2H3,(H,17,20)(H,18,19)/p-2