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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-28-13-12-19(24-20(25)16-8-4-2-5-9-16)22(26)27-14-18-15-29-21(23-18)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,24,25)