methyl 3-[(2S)-7-chloranyl-2-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate

Systemtic Name: methyl 3-[(2S)-7-chloranyl-2-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[(2S)-7-chloro-2-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[(2S)-7-chloro-2-[[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-7-chloro-2-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[(2S)-7-chloro-2-[[[2-(2-pyrimidylthio)acetyl]amino]methyl]coumaran-5-yl]benzoic acid methyl ester Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC3=C(C(=C2)Cl)O[C@@H](C3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C23H20ClN3O4S/c1-30-22(29)15-5-2-4-14(8-15)16-9-17-10-18(31-21(17)19(24)11-16)12-27-20(28)13-32-23-25-6-3-7-26-23/h2-9,11,18H,10,12-13H2,1H3,(H,27,28)/t18-/m0/s1