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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C19H20FNO3S/c1-12-4-5-14(10-16(12)20)21-19(22)13(2)25-15-6-7-17-18(11-15)24-9-3-8-23-17/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,21,22)/t13-/m0/s1