methyl 2-(4-morpholin-4-ylcarbonyl-3,5-dinitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-morpholin-4-ylcarbonyl-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-[4-(morpholine-4-carbonyl)-3,5-dinitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[4-morpholinyl(oxo)methyl]-3,5-dinitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(morpholine-4-carbonyl)-3,5-dinitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(morpholine-4-carbonyl)-3,5-dinitro-phenyl]thio]acetic acid methyl ester Formula: C14H15N3O8S MolecularWeight: 385.3492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O8S/c1-24-12(18)8-26-9-6-10(16(20)21)13(11(7-9)17(22)23)14(19)15-2-4-25-5-3-15/h6-7H,2-5,8H2,1H3