(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-N-phenyl-propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-N-phenyl-propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-N-phenyl-propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methyl-N-phenylpropanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-N-phenylpropanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methyl-N-phenyl-propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO3S/c1-14(19(21)20(2)15-7-4-3-5-8-15)24-16-9-10-17-18(13-16)23-12-6-11-22-17/h3-5,7-10,13-14H,6,11-12H2,1-2H3/t14-/m0/s1