[2-(butylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C15H21N3O7S2 MolecularWeight: 419.47314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)COC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O7S2/c1-3-4-7-16-14(19)10-25-15(20)9-17-27(23,24)11-5-6-13(26-2)12(8-11)18(21)22/h5-6,8,17H,3-4,7,9-10H2,1-2H3,(H,16,19)