ethyl 2-[4-(phenylmethyl)sulfonylbutanoylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[4-(phenylmethyl)sulfonylbutanoylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-(4-benzylsulfonylbutanoylamino)thiazole-4-carboxylate CAS Name: 2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonylbutanoylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylamino)thiazole-4-carboxylic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S2/c1-2-24-16(21)14-11-25-17(18-14)19-15(20)9-6-10-26(22,23)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3,(H,18,19,20)