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

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] naphthalene-1-carboxylate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] ester Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CN(CC(COC1=CC=CC=C1)OC(=O)C2=CC=CC3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C28H24N2O5S/c1-30(27-25-15-7-8-17-26(25)36(32,33)29-27)18-22(19-34-21-12-3-2-4-13-21)35-28(31)24-16-9-11-20-10-5-6-14-23(20)24/h2-17,22H,18-19H2,1H3