[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-[(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:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OCC

InChI

InChI=1S/C19H27NO7S/c1-3-5-9-26-16-7-6-14(11-17(16)25-4-2)19(22)27-12-18(21)20-15-8-10-28(23,24)13-15/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3,(H,20,21)