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

Systemtic Name: 3-[(2,4-dimethylphenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)methoxy]-5-(2-morpholinoethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2,4-dimethylphenyl)methoxy]-5-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2,4-dimethylbenzyl)oxy-5-(2-morpholinoethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCN3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCN3CCOCC3)C

InChI

InChI=1S/C20H26N4O5S/c1-13-3-4-15(14(2)11-13)12-29-17-16(19(25)26)18(30-23-17)22-20(27)21-5-6-24-7-9-28-10-8-24/h3-4,11H,5-10,12H2,1-2H3,(H,25,26)(H2,21,22,27)