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

Systemtic Name: ethyl 4-(2-methylpropyl)-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H34N2O11S2 MolecularWeight: 602.67426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H34N2O11S2/c1-8-34-24(33)19-17(9-12(2)3)11-40-23(19)27-25(39)26-22(32)21(38-16(7)31)20(37-15(6)30)18(36-14(5)29)10-35-13(4)28/h11-12,18,20-21H,8-10H2,1-7H3,(H2,26,27,32,39)