ethyl 5-ethyl-2-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=C(C(=CC(=C2C)C)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=C(C(=CC(=C2C)C)C)C)C(=O)OCC

InChI

InChI=1S/C21H27NO3S2/c1-7-16-10-17(21(24)25-8-2)20(27-16)22-18(23)11-26-19-14(5)12(3)9-13(4)15(19)6/h9-10H,7-8,11H2,1-6H3,(H,22,23)