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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxyphenyl)propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxyphenyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methoxyphenyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methoxyphenyl)propionamide Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO4S/c1-13(19(21)20-14-4-6-15(22-2)7-5-14)25-16-8-9-17-18(12-16)24-11-3-10-23-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1