3-[(4-tert-butylphenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)methoxy]-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-tert-butylphenyl)methoxy]-5-[[dimethylamino(oxo)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-tert-butylbenzyl)oxy-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)N(C)C

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)12-8-6-11(7-9-12)10-25-14-13(16(22)23)15(26-20-14)19-17(24)21(4)5/h6-9H,10H2,1-5H3,(H,19,24)(H,22,23)