ethyl 3-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-(pyridin-2-ylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-(pyridin-2-ylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(2-pyridylmethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(2-pyridinylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[1-(4-carbethoxyphenyl)-5-keto-3-(2-pyridylmethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C29H28N4O6S MolecularWeight: 560.62082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=CC(=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=CC(=C4)C(=O)OCC

InChI

InChI=1S/C29H28N4O6S/c1-3-38-27(36)19-11-13-23(14-12-19)33-26(35)24(32(29(33)40)18-22-9-5-6-15-30-22)17-25(34)31-21-10-7-8-20(16-21)28(37)39-4-2/h5-16,24H,3-4,17-18H2,1-2H3,(H,31,34)