(2R)-N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-benzyl-N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionamide Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H27NO3S/c1-16(27-18-10-11-19-20(14-18)26-13-12-25-19)21(24)23(22(2,3)4)15-17-8-6-5-7-9-17/h5-11,14,16H,12-13,15H2,1-4H3/t16-/m1/s1