2-methylpropyl 4-methylsulfanyl-2-[2-(3-nitrophenyl)ethanoylamino]butanoate

Systemtic Name: 2-methylpropyl 4-methylsulfanyl-2-[2-(3-nitrophenyl)ethanoylamino]butanoate Openeye Name: isobutyl 4-methylsulfanyl-2-[[2-(3-nitrophenyl)acetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[2-(3-nitrophenyl)-1-oxoethyl]amino]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methylsulfanyl-2-[[2-(3-nitrophenyl)acetyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-(3-nitrophenyl)acetyl]amino]butyric acid isobutyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CCSC)NC(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C(CCSC)NC(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5S/c1-12(2)11-24-17(21)15(7-8-25-3)18-16(20)10-13-5-4-6-14(9-13)19(22)23/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H,18,20)