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

Systemtic Name: 5-(dimethylcarbamoylamino)-3-(3,3-diphenylpropoxy)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-(3,3-diphenylpropoxy)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-(3,3-diphenylpropoxy)-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-(3,3-diphenylpropoxy)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(3,3-diphenylpropoxy)isothiazole-4-carboxylic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)OCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)OCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23N3O4S/c1-25(2)22(28)23-20-18(21(26)27)19(24-30-20)29-14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,23,28)(H,26,27)