methyl 4-methylsulfanyl-2-[(3-nitro-5-phenyl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(3-nitro-5-phenyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(3-nitro-5-phenyl-benzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitro-5-phenylphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(3-nitro-5-phenylbenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitro-5-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=CC(=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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