ethyl 5-ethyl-2-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(2-quinoxalin-2-ylsulfanylethanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(2-quinoxalin-2-ylsulfanylacetyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[1-oxo-2-(2-quinoxalinylthio)ethoxy]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(2-quinoxalin-2-ylsulfanylacetyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[2-(quinoxalin-2-ylthio)acetyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)C(=O)OCC

InChI

InChI=1S/C21H21N3O5S2/c1-3-13-9-14(21(27)28-4-2)20(31-13)24-17(25)11-29-19(26)12-30-18-10-22-15-7-5-6-8-16(15)23-18/h5-10H,3-4,11-12H2,1-2H3,(H,24,25)