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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2-phenylethanoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2-phenylacetate CAS Name: 2-phenylacetic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 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)NCOC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)CC4=CC=CC=C4

InChI

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