2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl benzoate

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl benzoate Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl benzoate CAS Name: benzoic acid 2-[[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]ethyl benzoate Traditional Name: benzoic acid 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S/c1-17-15-19(31-16-23-27-20-9-5-6-10-22(20)33-23)11-12-21(17)32-25(29)26-13-14-30-24(28)18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,26,29)