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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=N3)C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=N3)C4=CC=C(C=C4)C(=O)OCC

InChI

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