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

Systemtic Name: ethyl 4-[2-[(4R)-3-cyclopropyl-1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4R)-3-cyclopropyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-3-cyclopropyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4R)-3-cyclopropyl-1-(4-ethoxycarbonylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-1-(4-carbethoxyphenyl)-3-cyclopropyl-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2C3CC3)C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=S)N2C3CC3)C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C26H27N3O6S/c1-3-34-24(32)16-5-9-18(10-6-16)27-22(30)15-21-23(31)29(26(36)28(21)19-13-14-19)20-11-7-17(8-12-20)25(33)35-4-2/h5-12,19,21H,3-4,13-15H2,1-2H3,(H,27,30)/t21-/m1/s1