(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3S/c1-11-3-5-15(14(19)9-11)20-18(21)12(2)24-13-4-6-16-17(10-13)23-8-7-22-16/h3-6,9-10,12H,7-8H2,1-2H3,(H,20,21)/t12-/m0/s1