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

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[[(3R)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O7S/c1-9-6-10(2-3-12(9)16(19)20)14(18)23-7-13(17)15-11-4-5-24(21,22)8-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,17)/t11-/m1/s1