ethyl 2-[[4-methanoyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[4-methanoyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[4-formyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-formyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-formyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-formyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H25NO4S/c1-4-27-22(26)20(11-12-28-3)23-21(25)18-10-9-16(14-24)13-19(18)17-8-6-5-7-15(17)2/h5-10,13-14,20H,4,11-12H2,1-3H3,(H,23,25)