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

Systemtic Name: ethyl 4-[2-[(4R)-1-(4-ethoxyphenyl)-5-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4R)-3-allyl-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4R)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-3-allyl-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)CC=C)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H](N(C2=S)CC=C)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C25H27N3O5S/c1-4-15-27-21(16-22(29)26-18-9-7-17(8-10-18)24(31)33-6-3)23(30)28(25(27)34)19-11-13-20(14-12-19)32-5-2/h4,7-14,21H,1,5-6,15-16H2,2-3H3,(H,26,29)/t21-/m1/s1