N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

InChI=1S/C18H16N2O3S/c19-8-3-11-24-17-5-2-1-4-14(17)20-18(21)13-6-7-15-16(12-13)23-10-9-22-15/h1-2,4-7,12H,3,9-11H2,(H,20,21)