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

Systemtic Name: ethyl 2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O11S3 MolecularWeight: 628.69162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)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=C1C2=CC=CS2)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H28N2O11S3/c1-6-34-24(33)19-16(18-8-7-9-40-18)11-41-23(19)27-25(39)26-22(32)21(38-15(5)31)20(37-14(4)30)17(36-13(3)29)10-35-12(2)28/h7-9,11,17,20-21H,6,10H2,1-5H3,(H2,26,27,32,39)