(2S)-2-acetamido-4-methyl-N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide

Systemtic Name: (2S)-2-acetamido-4-methyl-N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide Openeye Name: (2S)-2-acetamido-4-methyl-N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pentanamide CAS Name: (2S)-2-acetamido-4-methyl-N-[[(2S)-5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]pentanamide IUPAC Name: (2S)-2-acetamido-4-methyl-N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pentanamide Traditional Name: (2S)-2-acetamido-4-methyl-N-[[(2S)-5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]valeramide Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)SC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-15(2)11-22(26-16(3)27)24(28)25-14-20-13-19-12-18(7-10-23(19)29-20)17-5-8-21(30-4)9-6-17/h5-10,12,15,20,22H,11,13-14H2,1-4H3,(H,25,28)(H,26,27)/t20-,22-/m0/s1