methyl (2S)-4-methylsulfanyl-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(5-nitro-2-pyrrolidino-benzoyl)amino]butyric acid methyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C17H23N3O5S/c1-25-17(22)14(7-10-26-2)18-16(21)13-11-12(20(23)24)5-6-15(13)19-8-3-4-9-19/h5-6,11,14H,3-4,7-10H2,1-2H3,(H,18,21)/t14-/m0/s1