N-[(5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[[5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(2-thienyl)butanamide CAS Name: N-[(5-chloro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl)methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[(5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[[5-chloro-7-(4-pyridyl)coumaran-2-yl]methyl]-4-(2-thienyl)butyramide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2C3=CC=NC=C3)Cl)CNC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2C3=CC=NC=C3)Cl)CNC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C22H21ClN2O2S/c23-17-11-16-12-18(14-25-21(26)5-1-3-19-4-2-10-28-19)27-22(16)20(13-17)15-6-8-24-9-7-15/h2,4,6-11,13,18H,1,3,5,12,14H2,(H,25,26)