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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl propanoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCNC(=O)OC1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC(=O)OCNC(=O)OC1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H20N2O5S/c1-3-19(23)26-12-21-20(24)27-16-9-8-14(10-13(16)2)25-11-18-22-15-6-4-5-7-17(15)28-18/h4-10H,3,11-12H2,1-2H3,(H,21,24)