(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propionamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O3S/c1-13(17(21)20-18(12-19)7-3-2-4-8-18)24-14-5-6-15-16(11-14)23-10-9-22-15/h5-6,11,13H,2-4,7-10H2,1H3,(H,20,21)/t13-/m1/s1