methyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylprolyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H18FN3O5S2 MolecularWeight: 463.502423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O5S2/c1-29-19(26)12-4-9-15-17(11-12)30-20(22-15)23-18(25)16-3-2-10-24(16)31(27,28)14-7-5-13(21)6-8-14/h4-9,11,16H,2-3,10H2,1H3,(H,22,23,25)