[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 4-isopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(3-methylbutylthio)-3-nitrobenzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isoamylthio)-3-nitro-benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CC(=C(C=C1)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5S/c1-9(2)6-7-23-13-5-4-11(8-12(13)17(20)21)15(19)22-10(3)14(16)18/h4-5,8-10H,6-7H2,1-3H3,(H2,16,18)/t10-/m1/s1