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

Systemtic Name: (2R)-N-(2-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: (2R)-N-(2-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-N-(2-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: (2R)-N-(2-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: (2R)-N-(2-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1Cl)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18ClNO3S/c1-12(18(21)20-15-6-3-2-5-14(15)19)24-13-7-8-16-17(11-13)23-10-4-9-22-16/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,20,21)/t12-/m1/s1