N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethanoyl-thiophene-3-carboxamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethanoyl-thiophene-3-carboxamide Openeye Name: 5-acetyl-N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]thiophene-3-carboxamide Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-11(25)18-5-14(9-28-18)20(26)24-8-16-3-13-2-12(4-17(21)19(13)27-16)15-6-22-10-23-7-15/h2,4-7,9-10,16H,3,8H2,1H3,(H,24,26)/t16-/m1/s1