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

Systemtic Name: (2S)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-fluorophenyl)ethanamide Openeye Name: (2S)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-fluorophenyl)acetamide CAS Name: (2S)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(4-fluorophenyl)acetamide IUPAC Name: (2S)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-fluorophenyl)acetamide Traditional Name: (2S)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(4-fluorophenyl)acetamide Formula: C20H20FNO3S MolecularWeight: 373.441103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO3S/c21-14-4-2-13(3-5-14)19(20(23)22-15-6-7-15)26-16-8-9-17-18(12-16)25-11-1-10-24-17/h2-5,8-9,12,15,19H,1,6-7,10-11H2,(H,22,23)/t19-/m0/s1