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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H23NO6S/c1-2-22(17-12-13-29(25,26)15-17)20(23)14-27-21(24)16-8-10-19(11-9-16)28-18-6-4-3-5-7-18/h3-11,17H,2,12-15H2,1H3