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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-ethoxypropanoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic 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 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-3-27-11-10-21(25)29-14-23-22(26)30-18-9-8-16(12-15(18)2)28-13-20-24-17-6-4-5-7-19(17)31-20/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,23,26)