(2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-ethanamide Openeye Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-phenylacetamide Traditional Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-phenyl-acetamide Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S[C@H](C3=CC=CC=C3)C(=O)NC4CC4)OC1

InChI

InChI=1S/C20H21NO3S/c22-20(21-15-7-8-15)19(14-5-2-1-3-6-14)25-16-9-10-17-18(13-16)24-12-4-11-23-17/h1-3,5-6,9-10,13,15,19H,4,7-8,11-12H2,(H,21,22)/t19-/m1/s1