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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C20H26N2O7S/c1-14-17(8-5-9-18(14)22(25)26)20(24)29-12-19(23)21(15-6-3-2-4-7-15)16-10-11-30(27,28)13-16/h5,8-9,15-16H,2-4,6-7,10-13H2,1H3