[2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[5-[2-(methanesulfonamido)ethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]ethyl] ester Formula: C18H20N2O9S2 MolecularWeight: 472.4894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=C(S2)CCNS(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC=C(S2)CCNS(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O9S2/c1-27-15-8-12(13(20(23)24)9-16(15)28-2)18(22)29-10-14(21)17-5-4-11(30-17)6-7-19-31(3,25)26/h4-5,8-9,19H,6-7,10H2,1-3H3