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

Systemtic Name: (2S)-2-methyl-N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Openeye Name: (2S)-2-methyl-N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide CAS Name: (2S)-2-methyl-N-[[(2R)-5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]butanamide IUPAC Name: (2S)-2-methyl-N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Traditional Name: (2S)-2-methyl-N-[[(2R)-5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]butyramide Formula: C21H25NO2S MolecularWeight: 355.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-4-14(2)21(23)22-13-18-12-17-11-16(7-10-20(17)24-18)15-5-8-19(25-3)9-6-15/h5-11,14,18H,4,12-13H2,1-3H3,(H,22,23)/t14-,18+/m0/s1