methyl 3-nitro-4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-benzoate CAS Name: 3-nitro-4-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzoate Traditional Name: 4-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c1-22-15(19)10-4-5-13(12(7-10)17(20)21)24-9-14(18)16-8-11-3-2-6-23-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,18)