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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6S/c1-21(16-11-12-28(24,25)14-16)19(22)13-26-20(23)15-7-9-18(10-8-15)27-17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3/t16-/m0/s1