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

Systemtic Name: methyl 2-[(2R)-5-methyl-2-[(2-pyridin-4-ylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Openeye Name: methyl 2-[(2R)-5-methyl-2-[[[2-(4-pyridylsulfanyl)acetyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoate CAS Name: 2-[(2R)-5-methyl-2-[[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2R)-5-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzoate Traditional Name: 2-[(2R)-5-methyl-2-[[[2-(4-pyridylthio)acetyl]amino]methyl]coumaran-7-yl]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=CC=CC=C3C(=O)OC)OC(C2)CNC(=O)CSC4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=CC=CC=C3C(=O)OC)O[C@H](C2)CNC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C25H24N2O4S/c1-16-11-17-13-18(14-27-23(28)15-32-19-7-9-26-10-8-19)31-24(17)22(12-16)20-5-3-4-6-21(20)25(29)30-2/h3-12,18H,13-15H2,1-2H3,(H,27,28)/t18-/m1/s1