(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@H](C(=O)NCC=C)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H19NO3S/c1-3-7-16-15(17)11(2)20-12-5-6-13-14(10-12)19-9-4-8-18-13/h3,5-6,10-11H,1,4,7-9H2,2H3,(H,16,17)/t11-/m1/s1