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

Systemtic Name: methyl 4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/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/h2-7H,8-9H2,1H3,(H,16,18)