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

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-naphthalen-1-yloxy-propan-2-yl] 2-methoxybenzoate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-(1-naphthyloxy)ethyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic 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-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-(1-naphthoxy)ethyl] ester Formula: C29H26N2O6S MolecularWeight: 530.59154

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3OC)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CN(CC(COC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3OC)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C29H26N2O6S/c1-31(28-24-14-6-8-17-27(24)38(33,34)30-28)18-21(37-29(32)23-13-5-7-15-25(23)35-2)19-36-26-16-9-11-20-10-3-4-12-22(20)26/h3-17,21H,18-19H2,1-2H3