ethyl 4-phenyl-2-[2-(phenylmethyl)sulfonylethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-(phenylmethyl)sulfonylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfonylacetyl)amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfonylacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(2-benzylsulfonylacetyl)amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S2/c1-2-28-20(25)19-18(16-11-7-4-8-12-16)23-21(29-19)22-17(24)14-30(26,27)13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,22,23,24)