[2-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-[(3-methyl-1,1-dioxo-thiolan-3-yl)amino]-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-[(1,1-diketo-3-methyl-thiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7S/c1-17(2,3)13-6-5-12(9-14(13)20(23)24)16(22)27-10-15(21)19-18(4)7-8-28(25,26)11-18/h5-6,9H,7-8,10-11H2,1-4H3,(H,19,21)