2-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-4-ethyl-benzenesulfonic acid

Systemtic Name: 2-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-4-ethyl-benzenesulfonic acid Openeye Name: 2-(2,3-dihydrothiazol-2-ylmethyl)-4-ethyl-benzenesulfonic acid CAS Name: 2-(2,3-dihydrothiazol-2-ylmethyl)-4-ethylbenzenesulfonic acid IUPAC Name: 2-(2,3-dihydro-1,3-thiazol-2-ylmethyl)-4-ethylbenzenesulfonic acid Traditional Name: 4-ethyl-2-(4-thiazolin-2-ylmethyl)besylic acid Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)S(=O)(=O)O)CC2NC=CS2

Isomeric SMILES

CCC1=CC(=C(C=C1)S(=O)(=O)O)CC2NC=CS2

InChI

InChI=1S/C12H15NO3S2/c1-2-9-3-4-11(18(14,15)16)10(7-9)8-12-13-5-6-17-12/h3-7,12-13H,2,8H2,1H3,(H,14,15,16)