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

Systemtic Name: 5-(dimethylcarbamoylamino)-3-(4-phenoxybutoxy)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-(4-phenoxybutoxy)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(4-phenoxybutoxy)-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-(4-phenoxybutoxy)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(4-phenoxybutoxy)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)OCCCCOC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)OCCCCOC2=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)25-11-7-6-10-24-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,23)(H,21,22)