[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-isobutyl-amino]-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-isobutyl-amino]-2-keto-ethyl] ester Formula: C19H27NO7S MolecularWeight: 413.48518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C19H27NO7S/c1-13(2)10-20(14-7-8-28(23,24)12-14)18(21)11-27-19(22)16-6-5-15(25-3)9-17(16)26-4/h5-6,9,13-14H,7-8,10-12H2,1-4H3/t14-/m0/s1