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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl propanoate Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-3-20(24)26-11-10-22-21(25)28-17-9-8-15(12-14(17)2)27-13-19-23-16-6-4-5-7-18(16)29-19/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,25)