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

Systemtic Name: 5-(cyclohexylmethylcarbamoylamino)-3-[(4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(cyclohexylmethylcarbamoylamino)-3-(p-tolylmethoxy)isothiazole-4-carboxylic acid CAS Name: 5-[[(cyclohexylmethylamino)-oxomethyl]amino]-3-[(4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-(cyclohexylmethylcarbamoylamino)-3-[(4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(cyclohexylmethylcarbamoylamino)-3-(4-methylbenzyl)oxy-isothiazole-4-carboxylic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC3CCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-13-7-9-15(10-8-13)12-27-17-16(19(24)25)18(28-23-17)22-20(26)21-11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,24,25)(H2,21,22,26)