ethyl 2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32N2O11S2 MolecularWeight: 600.65838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)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(SC2=C1CCCC2)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H32N2O11S2/c1-6-34-24(33)19-16-9-7-8-10-18(16)40-23(19)27-25(39)26-22(32)21(38-15(5)31)20(37-14(4)30)17(36-13(3)29)11-35-12(2)28/h17,20-21H,6-11H2,1-5H3,(H2,26,27,32,39)