[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[cyclopropyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[cyclopropyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2CC2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7S/c19-15(17(12-4-5-12)14-6-7-26(23,24)10-14)9-25-16(20)11-2-1-3-13(8-11)18(21)22/h1-3,8,12,14H,4-7,9-10H2/t14-/m0/s1