[(2S)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(2S)-1-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1S)-2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)OC(=O)C2=C(C=C(C=C2)C)O

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)C)O

InChI

InChI=1S/C17H23NO6S/c1-4-18(13-7-8-25(22,23)10-13)16(20)12(3)24-17(21)14-6-5-11(2)9-15(14)19/h5-6,9,12-13,19H,4,7-8,10H2,1-3H3/t12-,13-/m0/s1