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

Systemtic Name: (2S)-N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-[[(2R)-7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-acetyl-N-[[(2R)-7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-acetyl-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-[[(2R)-7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]pyrrolidine-2-carboxamide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CSC=C4)Cl

Isomeric SMILES

CC(=O)N1CCC[C@H]1C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CSC=C4)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-12(24)23-5-2-3-18(23)20(25)22-10-16-8-15-7-14(13-4-6-27-11-13)9-17(21)19(15)26-16/h4,6-7,9,11,16,18H,2-3,5,8,10H2,1H3,(H,22,25)/t16-,18+/m1/s1