(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S2/c1-29-12-11-19(25-20(26)15-7-9-17(23)10-8-15)22(27)28-13-18-14-30-21(24-18)16-5-3-2-4-6-16/h2-10,14,19H,11-13H2,1H3,(H,25,26)