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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H29ClN2O11S2 MolecularWeight: 657.10896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)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=C(C=C2)Cl)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H29ClN2O11S2/c1-6-37-26(36)21-19(17-7-9-18(28)10-8-17)12-43-25(21)30-27(42)29-24(35)23(41-16(5)34)22(40-15(4)33)20(39-14(3)32)11-38-13(2)31/h7-10,12,20,22-23H,6,11H2,1-5H3,(H2,29,30,35,42)