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

Systemtic Name: ethyl 2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20FN3O5S2 MolecularWeight: 477.529003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O5S2/c1-2-30-20(27)13-5-10-16-18(12-13)31-21(23-16)24-19(26)17-4-3-11-25(17)32(28,29)15-8-6-14(22)7-9-15/h5-10,12,17H,2-4,11H2,1H3,(H,23,24,26)