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

Systemtic Name: ethyl 4-methyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S2/c1-3-24-16(21)15-12(2)18-17(25-15)19-14(20)9-10-26(22,23)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,19,20)