methyl 4-methylsulfanyl-2-[(4-nitro-2-phenyl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-nitro-2-phenyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-nitro-2-phenyl-benzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(4-nitro-2-phenylphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-nitro-2-phenylbenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(4-nitro-2-phenyl-benzoyl)amino]butyric acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-26-19(23)17(10-11-27-2)20-18(22)15-9-8-14(21(24)25)12-16(15)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,20,22)