5-(dimethylcarbamoylamino)-3-[(4-phenylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[(4-phenylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-[(4-phenylphenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[(4-phenylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[(4-phenylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-(4-phenylbenzyl)oxy-isothiazole-4-carboxylic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)OCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)OCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19N3O4S/c1-23(2)20(26)21-18-16(19(24)25)17(22-28-18)27-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,26)(H,24,25)