ethyl 5-ethyl-2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[3-(methylsulfonylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[3-(methylsulfonylmethyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[3-(methylsulfonylmethyl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[3-(mesylmethyl)benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C18H21NO5S2/c1-4-14-10-15(18(21)24-5-2)17(25-14)19-16(20)13-8-6-7-12(9-13)11-26(3,22)23/h6-10H,4-5,11H2,1-3H3,(H,19,20)