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

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17FN2O5S2 MolecularWeight: 436.477083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O5S2/c1-27-18(24)12-4-9-15-16(11-12)28-19(21-15)22-17(23)3-2-10-29(25,26)14-7-5-13(20)6-8-14/h4-9,11H,2-3,10H2,1H3,(H,21,22,23)