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

Systemtic Name: methyl 2-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(morpholine-4-carbonyl)-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-(morpholine-4-carbonyl)-2-nitro-phenyl]thio]acetic acid methyl ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S/c1-21-13(17)9-23-12-3-2-10(8-11(12)16(19)20)14(18)15-4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3