[1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] benzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] benzoate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] benzoate CAS Name: benzoic acid [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-phenoxypropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-phenoxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H22N2O5S/c1-26(23-21-14-8-9-15-22(21)32(28,29)25-23)16-20(17-30-19-12-6-3-7-13-19)31-24(27)18-10-4-2-5-11-18/h2-15,20H,16-17H2,1H3