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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C30H36N2O13S2 MolecularWeight: 696.74244

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H36N2O13S2/c1-9-41-29(38)24-23(19-10-11-20(39-7)21(12-19)40-8)14(2)47-28(24)32-30(46)31-27(37)26(45-18(6)36)25(44-17(5)35)22(43-16(4)34)13-42-15(3)33/h10-12,22,25-26H,9,13H2,1-8H3,(H2,31,32,37,46)