1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H20N2O4S3 MolecularWeight: 436.5681

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S3/c1-26-12-11-16(21-28(23,24)14-7-3-2-4-8-14)19(22)25-13-18-20-15-9-5-6-10-17(15)27-18/h2-10,16,21H,11-13H2,1H3