5-(dimethylcarbamoylamino)-3-[3-(3-methoxyphenyl)propoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[3-(3-methoxyphenyl)propoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-[3-(3-methoxyphenyl)propoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[3-(3-methoxyphenyl)propoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[3-(3-methoxyphenyl)propoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-[3-(3-methoxyphenyl)propoxy]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)OCCCC2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)OCCCC2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C17H21N3O5S/c1-20(2)17(23)18-15-13(16(21)22)14(19-26-15)25-9-5-7-11-6-4-8-12(10-11)24-3/h4,6,8,10H,5,7,9H2,1-3H3,(H,18,23)(H,21,22)