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

Systemtic Name: 3-[(4-methylphenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(3-morpholinopropylcarbamoylamino)-3-(p-tolylmethoxy)isothiazole-4-carboxylic acid CAS Name: 3-[(4-methylphenyl)methoxy]-5-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-methylphenyl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-methylbenzyl)oxy-5-(3-morpholinopropylcarbamoylamino)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)NCCCN3CCOCC3

Isomeric SMILES

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

InChI

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