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

Systemtic Name: [1-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-phenoxy-propan-2-yl] 4-methylbenzoate Openeye Name: [1-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]methyl]-2-phenoxy-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenoxypropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenoxypropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[[(1,1-diketo-1,2-benzothiazol-3-yl)amino]methyl]-2-phenoxy-ethyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(CNC2=NS(=O)(=O)C3=CC=CC=C32)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(CNC2=NS(=O)(=O)C3=CC=CC=C32)COC4=CC=CC=C4

InChI

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