2-[4-[5-chloranyl-2-(phenylmethyl)sulfonyl-phenyl]-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-[5-chloranyl-2-(phenylmethyl)sulfonyl-phenyl]-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(2-benzylsulfonyl-5-chloro-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-[5-chloro-2-(phenylmethyl)sulfonylphenyl]-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(2-benzylsulfonyl-5-chlorophenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-(2-benzylsulfonyl-5-chloro-phenyl)thiazol-2-yl]acetic acid Formula: C18H14ClNO4S2 MolecularWeight: 407.89106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)Cl)C3=CSC(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)Cl)C3=CSC(=N3)CC(=O)O

InChI

InChI=1S/C18H14ClNO4S2/c19-13-6-7-16(26(23,24)11-12-4-2-1-3-5-12)14(8-13)15-10-25-17(20-15)9-18(21)22/h1-8,10H,9,11H2,(H,21,22)