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

Systemtic Name: 3-[(4-methylphenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(isobutylcarbamoylamino)-3-(p-tolylmethoxy)isothiazole-4-carboxylic acid CAS Name: 3-[(4-methylphenyl)methoxy]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-methylphenyl)methoxy]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(isobutylcarbamoylamino)-3-(4-methylbenzyl)oxy-isothiazole-4-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-10(2)8-18-17(23)19-15-13(16(21)22)14(20-25-15)24-9-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H2,18,19,23)