methyl 2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-morpholinosulfonyl-4-nitro-phenyl)sulfanylacetate CAS Name: 2-[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-morpholinosulfonyl-4-nitro-phenyl)thio]acetic acid methyl ester Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C13H16N2O7S2/c1-21-13(16)9-23-11-3-2-10(15(17)18)8-12(11)24(19,20)14-4-6-22-7-5-14/h2-3,8H,4-7,9H2,1H3