2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-N-[4-(methylthio)phenyl]acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-N-[4-(methylthio)phenyl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)CN2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O3S/c1-28-18-8-6-17(7-9-18)23-22(25)15-24-11-2-4-19(24)16-5-10-20-21(14-16)27-13-3-12-26-20/h5-10,14,19H,2-4,11-13,15H2,1H3,(H,23,25)/t19-/m0/s1