5-chloranyl-2-methoxy-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 5-chloro-2-methoxy-3-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 5-chloro-2-methoxy-3-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 5-chloro-2-methoxy-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 5-chloro-2-methoxy-3-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C12H10ClNO5S2 MolecularWeight: 347.7945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC2=CSC=N2

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC2=CSC=N2

InChI

InChI=1S/C12H10ClNO5S2/c1-19-11-9(12(15)16)2-7(13)3-10(11)21(17,18)5-8-4-20-6-14-8/h2-4,6H,5H2,1H3,(H,15,16)