ethyl 3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(phenylmethyl)sulfonylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(phenylmethyl)sulfonylethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzylsulfonylacetyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-benzylsulfonylacetyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S2/c1-3-23-17(20)16-12(2)9-15(24-16)18-14(19)11-25(21,22)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,18,19)