[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C19H27NO7S MolecularWeight: 413.48518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO7S/c1-4-5-7-20(15-6-8-28(23,24)13-15)18(21)12-27-19(22)14-9-16(25-2)11-17(10-14)26-3/h9-11,15H,4-8,12-13H2,1-3H3/t15-/m0/s1