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

Systemtic Name: methyl 2-[4-(phenylmethyl)sulfonylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylbutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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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)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S2/c1-27-19(24)15-9-10-16-17(12-15)28-20(21-16)22-18(23)8-5-11-29(25,26)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22,23)