(2S)-2-acetamido-N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-acetamido-N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methyl-pentanamide Openeye Name: (2S)-2-acetamido-N-[[(2R)-7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pentanamide CAS Name: (2S)-2-acetamido-N-[[(2R)-7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylpentanamide IUPAC Name: (2S)-2-acetamido-N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylpentanamide Traditional Name: (2S)-2-acetamido-N-[[(2R)-7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-4-methyl-valeramide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CSC=C3)Cl)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-12(2)6-19(24-13(3)25)21(26)23-10-17-8-16-7-15(14-4-5-28-11-14)9-18(22)20(16)27-17/h4-5,7,9,11-12,17,19H,6,8,10H2,1-3H3,(H,23,26)(H,24,25)/t17-,19+/m1/s1