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

Systemtic Name: ethyl 2-[2-(phenylmethyl)sulfonylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfonylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfonylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-benzylsulfonylacetyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S2/c1-2-26-18(23)14-8-9-15-16(10-14)27-19(20-15)21-17(22)12-28(24,25)11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,20,21,22)