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

Systemtic Name: methyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-benzylsulfonylpropanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-benzylsulfonylpropanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-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)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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