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

Systemtic Name: ethyl 4-phenyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S2/c1-2-29-21(26)20-19(17-11-7-4-8-12-17)24-22(30-20)23-18(25)13-14-31(27,28)15-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,23,24,25)