methyl 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H26N2O8S MolecularWeight: 454.49404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O8S/c1-29-20(24)14-7-8-18(17(11-14)22(25)26)30-12-19(23)21(15-5-3-2-4-6-15)16-9-10-31(27,28)13-16/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3