propan-2-yl 4-methylsulfanyl-2-[[5-nitro-2-(phenylmethyl)phenyl]carbonylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[[5-nitro-2-(phenylmethyl)phenyl]carbonylamino]butanoate Openeye Name: isopropyl 2-[(2-benzyl-5-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[[5-nitro-2-(phenylmethyl)phenyl]-oxomethyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-benzyl-5-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-benzyl-5-nitro-benzoyl)amino]-4-(methylthio)butyric acid isopropyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-15(2)29-22(26)20(11-12-30-3)23-21(25)19-14-18(24(27)28)10-9-17(19)13-16-7-5-4-6-8-16/h4-10,14-15,20H,11-13H2,1-3H3,(H,23,25)