2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole-5-carboxylate Openeye Name: 2-(p-tolylsulfonylmethyl)thiazole-5-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-5-thiazolecarboxylate IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazole-5-carboxylate Traditional Name: 2-(tosylmethyl)thiazole-5-carboxylate Formula: C12H10NO4S2- MolecularWeight: 296.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC=C(S2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC=C(S2)C(=O)[O-]

InChI

InChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)7-11-13-6-10(18-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)/p-1