[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23NO7S/c1-3-12(2)19(14-6-7-27(22,23)10-14)17(20)9-24-18(21)13-4-5-15-16(8-13)26-11-25-15/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3/t12-,14-/m0/s1