N-(2-sulfanylethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(2-sulfanylethyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(2-sulfanylethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(2-mercaptoethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-sulfanylethyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(2-mercaptoethyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NCCS

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NCCS

InChI

InChI=1S/C12H14N2O4S2/c15-11(13-6-8-19)5-7-14-12(16)9-3-1-2-4-10(9)20(14,17)18/h1-4,19H,5-8H2,(H,13,15)