methyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(3-benzylsulfonylpropanoylamino)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-benzylsulfonylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H17NO5S2 MolecularWeight: 367.43988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H17NO5S2/c1-22-16(19)13-7-9-23-15(13)17-14(18)8-10-24(20,21)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,17,18)