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

Systemtic Name: 3-[(2-chloranyl-4-methyl-phenyl)methoxy]-5-(4-morpholin-4-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-chloro-4-methyl-phenyl)methoxy]-5-(4-morpholinobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-chloro-4-methylphenyl)methoxy]-5-[[[4-(4-morpholinyl)butylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-methylphenyl)methoxy]-5-(4-morpholin-4-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-chloro-4-methyl-benzyl)oxy-5-(4-morpholinobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C21H27ClN4O5S MolecularWeight: 482.98088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCOCC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCN3CCOCC3)Cl

InChI

InChI=1S/C21H27ClN4O5S/c1-14-4-5-15(16(22)12-14)13-31-18-17(20(27)28)19(32-25-18)24-21(29)23-6-2-3-7-26-8-10-30-11-9-26/h4-5,12H,2-3,6-11,13H2,1H3,(H,27,28)(H2,23,24,29)