methyl 2-[4-(phenylsulfonyl)butanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(phenylsulfonyl)butanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S2/c1-26-18(23)13-9-10-15-16(12-13)27-19(20-15)21-17(22)8-5-11-28(24,25)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,21,22)