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

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethanoyl-thiophene-3-carboxamide Openeye Name: 5-acetyl-N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-[[(2R)-5-chloro-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-[[(2R)-5-chloro-7-pyrazin-2-yl-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)Cl)C4=NC=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3S/c1-11(25)18-6-13(10-28-18)20(26)24-8-15-5-12-4-14(21)7-16(19(12)27-15)17-9-22-2-3-23-17/h2-4,6-7,9-10,15H,5,8H2,1H3,(H,24,26)/t15-/m1/s1