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

Systemtic Name: 4-[(2-chloranyl-5-sulfo-phenyl)amino]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(2-chloro-5-sulfo-anilino)-2-(4-methoxyphenyl)thiazole-5-carboxylic acid CAS Name: 4-(2-chloro-5-sulfoanilino)-2-(4-methoxyphenyl)-5-thiazolecarboxylic acid IUPAC Name: 4-(2-chloro-5-sulfoanilino)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(2-chloro-5-sulfo-anilino)-2-(4-methoxyphenyl)thiazole-5-carboxylic acid Formula: C17H13ClN2O6S2 MolecularWeight: 440.87792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O6S2/c1-26-10-4-2-9(3-5-10)16-20-15(14(27-16)17(21)22)19-13-8-11(28(23,24)25)6-7-12(13)18/h2-8,19H,1H3,(H,21,22)(H,23,24,25)