ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19FN2O5S2 MolecularWeight: 450.503663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O5S2/c1-2-28-19(25)13-5-10-16-17(12-13)29-20(22-16)23-18(24)4-3-11-30(26,27)15-8-6-14(21)7-9-15/h5-10,12H,2-4,11H2,1H3,(H,22,23,24)