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

Systemtic Name: ethyl 5-ethyl-4-phenyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-phenyl-2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-4-phenyl-2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-phenyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-4-phenyl-2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O11S2 MolecularWeight: 650.71706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C29H34N2O11S2/c1-7-21-22(19-12-10-9-11-13-19)23(28(37)38-8-2)27(44-21)31-29(43)30-26(36)25(42-18(6)35)24(41-17(5)34)20(40-16(4)33)14-39-15(3)32/h9-13,20,24-25H,7-8,14H2,1-6H3,(H2,30,31,36,43)