(3R)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-[(2-cyanobenzyl)thio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H18N2O3S/c20-11-14-5-1-2-6-15(14)13-25-10-9-21-19(22)18-12-23-16-7-3-4-8-17(16)24-18/h1-8,18H,9-10,12-13H2,(H,21,22)/t18-/m1/s1