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

Systemtic Name: 3-[(2,4-dimethylphenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)methoxy]-5-(3-morpholinopropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2,4-dimethylphenyl)methoxy]-5-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2,4-dimethylbenzyl)oxy-5-(3-morpholinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3CCOCC3)C

InChI

InChI=1S/C21H28N4O5S/c1-14-4-5-16(15(2)12-14)13-30-18-17(20(26)27)19(31-24-18)23-21(28)22-6-3-7-25-8-10-29-11-9-25/h4-5,12H,3,6-11,13H2,1-2H3,(H,26,27)(H2,22,23,28)