2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioic S-acid)

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioic S-acid) Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioic S-acid) CAS Name: 2-(1,3-benzothiazol-2-yl)-2-ethylbutanebis(thioic S-acid) IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-ethylbutanebis(thioic S-acid) Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioic S-acid) Formula: C13H13NO2S3 MolecularWeight: 311.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)S)(C1=NC2=CC=CC=C2S1)C(=O)S

Isomeric SMILES

CCC(CC(=O)S)(C1=NC2=CC=CC=C2S1)C(=O)S

InChI

InChI=1S/C13H13NO2S3/c1-2-13(12(16)18,7-10(15)17)11-14-8-5-3-4-6-9(8)19-11/h3-6H,2,7H2,1H3,(H,15,17)(H,16,18)