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

Systemtic Name: ethyl 4-(4-phenylphenyl)-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-phenylphenyl)-2-(2,3,4,5-tetraacetoxypentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-phenylphenyl)-2-[[sulfanylidene-[(2,3,4,5-tetraacetyloxy-1-oxopentyl)amino]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylphenyl)-2-(2,3,4,5-tetraacetyloxypentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-phenylphenyl)-2-(2,3,4,5-tetraacetoxypentanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C33H34N2O11S2 MolecularWeight: 698.75986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)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)C3=CC=CC=C3)NC(=S)NC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H34N2O11S2/c1-6-42-32(41)27-25(24-14-12-23(13-15-24)22-10-8-7-9-11-22)17-48-31(27)35-33(47)34-30(40)29(46-21(5)39)28(45-20(4)38)26(44-19(3)37)16-43-18(2)36/h7-15,17,26,28-29H,6,16H2,1-5H3,(H2,34,35,40,47)