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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H20Cl2N2O3S2 MolecularWeight: 495.4418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N2O3S2/c1-30-10-9-19(26-20(27)17-8-7-15(23)11-18(17)24)22(28)29-12-16-13-31-21(25-16)14-5-3-2-4-6-14/h2-8,11,13,19H,9-10,12H2,1H3,(H,26,27)