N-[[(2R)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-butanamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-butanamide Openeye Name: N-[[(2R)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-butanamide CAS Name: N-[[(2R)-5-(5-acetyl-2-thiophenyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylbutanamide IUPAC Name: N-[[(2R)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbutanamide Traditional Name: N-[[(2R)-5-(5-acetyl-2-thienyl)-7-chloro-coumaran-2-yl]methyl]-3-methyl-butyramide Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CC=C(S3)C(=O)C)Cl

Isomeric SMILES

CC(C)CC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=CC=C(S3)C(=O)C)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-11(2)6-19(24)22-10-15-8-14-7-13(9-16(21)20(14)25-15)18-5-4-17(26-18)12(3)23/h4-5,7,9,11,15H,6,8,10H2,1-3H3,(H,22,24)/t15-/m1/s1