4-methylsulfanyl-2-[[5-nitro-2-(phenylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[5-nitro-2-(phenylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[(2-benzyl-5-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[[5-nitro-2-(phenylmethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(2-benzyl-5-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-benzyl-5-nitro-benzoyl)amino]-4-(methylthio)butyric acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O5S/c1-27-10-9-17(19(23)24)20-18(22)16-12-15(21(25)26)8-7-14(16)11-13-5-3-2-4-6-13/h2-8,12,17H,9-11H2,1H3,(H,20,22)(H,23,24)