[1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-naphthalen-1-yloxy-propan-2-yl] 2-bromanylbenzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-naphthalen-1-yloxy-propan-2-yl] 2-bromanylbenzoate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-(1-naphthyloxy)ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-(1-naphthalenyloxy)propan-2-yl] ester IUPAC Name: [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-3-naphthalen-1-yloxypropan-2-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-(1-naphthoxy)ethyl] ester Formula: C28H23BrN2O5S MolecularWeight: 579.46162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3Br)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CN(CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3Br)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H23BrN2O5S/c1-31(27-23-13-5-7-16-26(23)37(33,34)30-27)17-20(36-28(32)22-12-4-6-14-24(22)29)18-35-25-15-8-10-19-9-2-3-11-21(19)25/h2-16,20H,17-18H2,1H3