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

Systemtic Name: ethyl 4-[2-[(4R)-1-ethyl-5-oxidanylidene-3-(pyridin-3-ylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4R)-1-ethyl-5-oxo-3-(3-pyridylmethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4R)-1-ethyl-5-oxo-3-(3-pyridinylmethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4R)-1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4R)-1-ethyl-5-keto-3-(3-pyridylmethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)CC2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)[C@H](N(C1=S)CC2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H24N4O4S/c1-3-25-20(28)18(26(22(25)31)14-15-6-5-11-23-13-15)12-19(27)24-17-9-7-16(8-10-17)21(29)30-4-2/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,24,27)/t18-/m1/s1