[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C23H26BrNO7S MolecularWeight: 540.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H26BrNO7S/c1-3-25(18-9-10-33(28,29)15-18)21(26)14-32-23(27)17-11-19(24)22(20(12-17)30-2)31-13-16-7-5-4-6-8-16/h4-8,11-12,18H,3,9-10,13-15H2,1-2H3