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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-oxidanidyl-2,2-di(propan-2-yl)-4-sulfanylidene-butanoate Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-diisopropyl-4-oxido-4-thioxo-butanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-4-oxido-2,2-di(propan-2-yl)-4-sulfanylidenebutanoate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-oxido-2,2-di(propan-2-yl)-4-sulfanylidenebutanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,2-diisopropyl-4-oxido-4-thioxo-butyrate Formula: C17H19NO3S2-2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S2/c1-9(2)17(10(3)4,16(20)21)13(15(19)22)14-18-11-7-5-6-8-12(11)23-14/h5-10,13H,1-4H3,(H,19,22)(H,20,21)/p-2