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

Systemtic Name: ethyl 4-[2-[(4R)-3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4R)-3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4R)-3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-3-cyclopropyl-5-keto-1-p-phenetyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)C3CC3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H](N(C2=S)C3CC3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C25H27N3O5S/c1-3-32-20-13-11-19(12-14-20)28-23(30)21(27(25(28)34)18-9-10-18)15-22(29)26-17-7-5-16(6-8-17)24(31)33-4-2/h5-8,11-14,18,21H,3-4,9-10,15H2,1-2H3,(H,26,29)/t21-/m1/s1