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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[[(3S)-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=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7S/c1-9-3-2-4-11(13(9)16(19)20)14(18)23-7-12(17)15-10-5-6-24(21,22)8-10/h2-4,10H,5-8H2,1H3,(H,15,17)/t10-/m0/s1