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

Systemtic Name: methyl 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 3-bromo-4-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C15H18BrNO6S MolecularWeight: 420.27552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO6S/c1-17(11-5-6-24(20,21)9-11)14(18)8-23-13-4-3-10(7-12(13)16)15(19)22-2/h3-4,7,11H,5-6,8-9H2,1-2H3