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

Systemtic Name: methyl 2-[2-(phenylmethyl)sulfonylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-benzylsulfonylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfonylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-benzylsulfonylacetyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S2/c1-25-17(22)13-7-8-14-15(9-13)26-18(19-14)20-16(21)11-27(23,24)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,20,21)