methyl 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 3-bromo-4-[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[butyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[butyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H24BrNO6S MolecularWeight: 462.35526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C18H24BrNO6S/c1-3-4-8-20(14-7-9-27(23,24)12-14)17(21)11-26-16-6-5-13(10-15(16)19)18(22)25-2/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3