ethyl 4-[[2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid ethyl ester Formula: C21H22Cl2N2O4S MolecularWeight: 469.38138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O4S/c1-3-29-21(28)13-4-7-15(8-5-13)24-20(27)18(10-11-30-2)25-19(26)16-9-6-14(22)12-17(16)23/h4-9,12,18H,3,10-11H2,1-2H3,(H,24,27)(H,25,26)