[1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-3-phenoxy-propan-2-yl] 4-methylbenzoate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]methyl]-2-phenoxy-ethyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(CN(C)C2=NS(=O)(=O)C3=CC=CC=C32)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(CN(C)C2=NS(=O)(=O)C3=CC=CC=C32)COC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-18-12-14-19(15-13-18)25(28)32-21(17-31-20-8-4-3-5-9-20)16-27(2)24-22-10-6-7-11-23(22)33(29,30)26-24/h3-15,21H,16-17H2,1-2H3