(2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H22N2O4S3 MolecularWeight: 462.60538

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC1=CSC(=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S3/c1-28-13-12-19(23-30(25,26)18-10-6-3-7-11-18)21(24)27-14-17-15-29-20(22-17)16-8-4-2-5-9-16/h2-11,15,19,23H,12-14H2,1H3