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

Systemtic Name: 2-(3-methylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 2-(3-methylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(3-methylphenoxy)ethyl ester Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S2/c1-13-4-3-5-14(10-13)26-8-9-27-18(21)12-19-29(24,25)15-6-7-17(28-2)16(11-15)20(22)23/h3-7,10-11,19H,8-9,12H2,1-2H3