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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-isopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(3-methylbutylthio)-3-nitrobenzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isoamylthio)-3-nitro-benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-5-9-19-17(21)13(4)25-18(22)14-6-7-16(15(11-14)20(23)24)26-10-8-12(2)3/h5-7,11-13H,1,8-10H2,2-4H3,(H,19,21)/t13-/m1/s1