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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=C(C=C2)C)O

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=C(C=C2)C)O

InChI

InChI=1S/C17H23NO6S/c1-3-7-18(13-6-8-25(22,23)11-13)16(20)10-24-17(21)14-5-4-12(2)9-15(14)19/h4-5,9,13,19H,3,6-8,10-11H2,1-2H3/t13-/m0/s1