[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl] ester Formula: C15H18N2O7S MolecularWeight: 370.37762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O7S/c1-23-14(19)4-3-7-16-13(18)9-24-15(20)10-5-6-12(25-2)11(8-10)17(21)22/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18)