5-(dimethylcarbamoylamino)-3-(3-phenylmethoxypropoxy)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-(3-phenylmethoxypropoxy)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-(3-benzyloxypropoxy)-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(3-phenylmethoxypropoxy)-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-(3-phenylmethoxypropoxy)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3-benzoxypropoxy)-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)OCCCOCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)OCCCOCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H21N3O5S/c1-20(2)17(23)18-15-13(16(21)22)14(19-26-15)25-10-6-9-24-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,18,23)(H,21,22)