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

Systemtic Name: ethyl 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: ethyl 2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]acetic acid ethyl ester Formula: C14H18N2O7S2 MolecularWeight: 390.43192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7S2/c1-2-23-14(17)10-24-13-4-3-11(9-12(13)16(18)19)25(20,21)15-5-7-22-8-6-15/h3-4,9H,2,5-8,10H2,1H3