methyl 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-15(2,14(19)23-4)16-13(18)9-24-8-10-5-6-12(22-3)11(7-10)17(20)21/h5-7H,8-9H2,1-4H3,(H,16,18)