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

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[(3,4-dimethylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-[(3,4-dimethylphenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[(3,4-dimethylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[(3,4-dimethylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3,4-dimethylbenzyl)oxy-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)N(C)C)C

InChI

InChI=1S/C16H19N3O4S/c1-9-5-6-11(7-10(9)2)8-23-13-12(15(20)21)14(24-18-13)17-16(22)19(3)4/h5-7H,8H2,1-4H3,(H,17,22)(H,20,21)