1,3-benzothiazol-2-ylmethyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H19ClN2O4S3 MolecularWeight: 471.01316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S3/c1-27-11-10-16(22-29(24,25)14-8-6-13(20)7-9-14)19(23)26-12-18-21-15-4-2-3-5-17(15)28-18/h2-9,16,22H,10-12H2,1H3