[2-(ethoxymethyl)-3-methyl-1,3-benzothiazol-2-yl] 2-methylbenzenesulfonate

Systemtic Name: [2-(ethoxymethyl)-3-methyl-1,3-benzothiazol-2-yl] 2-methylbenzenesulfonate Openeye Name: [2-(ethoxymethyl)-3-methyl-1,3-benzothiazol-2-yl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [2-(ethoxymethyl)-3-methyl-1,3-benzothiazol-2-yl] ester IUPAC Name: [2-(ethoxymethyl)-3-methyl-1,3-benzothiazol-2-yl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [2-(ethoxymethyl)-3-methyl-1,3-benzothiazol-2-yl] ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1(N(C2=CC=CC=C2S1)C)OS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOCC1(N(C2=CC=CC=C2S1)C)OS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C18H21NO4S2/c1-4-22-13-18(19(3)15-10-6-7-11-16(15)24-18)23-25(20,21)17-12-8-5-9-14(17)2/h5-12H,4,13H2,1-3H3