ethyl 5-ethyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O11S2 MolecularWeight: 574.6211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C23H30N2O11S2/c1-7-15-9-16(22(31)32-8-2)21(38-15)25-23(37)24-20(30)19(36-14(6)29)18(35-13(5)28)17(34-12(4)27)10-33-11(3)26/h9,17-19H,7-8,10H2,1-6H3,(H2,24,25,30,37)