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

Systemtic Name: 3-[(2-chloranyl-4-methyl-phenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-chloro-4-methyl-phenyl)methoxy]-5-(2-morpholinoethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-chloro-4-methylphenyl)methoxy]-5-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-methylphenyl)methoxy]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-chloro-4-methyl-benzyl)oxy-5-(2-morpholinoethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C19H23ClN4O5S MolecularWeight: 454.92772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O5S/c1-12-2-3-13(14(20)10-12)11-29-16-15(18(25)26)17(30-23-16)22-19(27)21-4-5-24-6-8-28-9-7-24/h2-3,10H,4-9,11H2,1H3,(H,25,26)(H2,21,22,27)