4-[(2-chloranyl-4-methylsulfonyl-phenyl)amino]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-methylsulfonyl-phenyl)amino]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(2-chloro-4-methylsulfonyl-anilino)-2-(4-methoxyphenyl)thiazole-5-carboxylic acid CAS Name: 4-(2-chloro-4-methylsulfonylanilino)-2-(4-methoxyphenyl)-5-thiazolecarboxylic acid IUPAC Name: 4-(2-chloro-4-methylsulfonylanilino)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(2-chloro-4-mesyl-anilino)-2-(4-methoxyphenyl)thiazole-5-carboxylic acid Formula: C18H15ClN2O5S2 MolecularWeight: 438.9051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)NC3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)NC3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H15ClN2O5S2/c1-26-11-5-3-10(4-6-11)17-21-16(15(27-17)18(22)23)20-14-8-7-12(9-13(14)19)28(2,24)25/h3-9,20H,1-2H3,(H,22,23)