methyl 4-[(2R)-5-chloranyl-2-[(2-pyridin-4-ylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate

Systemtic Name: methyl 4-[(2R)-5-chloranyl-2-[(2-pyridin-4-ylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 4-[(2R)-5-chloro-2-[[[2-(4-pyridylsulfanyl)acetyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 4-[(2R)-5-chloro-2-[[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-5-chloro-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 4-[(2R)-5-chloro-2-[[[2-(4-pyridylthio)acetyl]amino]methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)CSC4=CC=NC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2O[C@H](C3)CNC(=O)CSC4=CC=NC=C4)Cl

InChI

InChI=1S/C24H21ClN2O4S/c1-30-24(29)16-4-2-15(3-5-16)21-12-18(25)10-17-11-19(31-23(17)21)13-27-22(28)14-32-20-6-8-26-9-7-20/h2-10,12,19H,11,13-14H2,1H3,(H,27,28)/t19-/m1/s1