5-[2-[(2-phenylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide

Systemtic Name: 5-[2-[(2-phenylsulfanylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide Openeye Name: 5-[2-[[(2-phenylsulfanylacetyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]pyridine-3-carboxamide CAS Name: 5-[2-[[[1-oxo-2-(phenylthio)ethyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]-3-pyridinecarboxamide IUPAC Name: 5-[2-[[(2-phenylsulfanylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide Traditional Name: 5-[2-[[[2-(phenylthio)acetyl]amino]methyl]coumaran-7-yl]nicotinamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C21)C3=CC(=CN=C3)C(=O)N)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=C(C=CC=C21)C3=CC(=CN=C3)C(=O)N)CNC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c24-23(28)17-9-16(11-25-12-17)20-8-4-5-15-10-18(29-22(15)20)13-26-21(27)14-30-19-6-2-1-3-7-19/h1-9,11-12,18H,10,13-14H2,(H2,24,28)(H,26,27)