N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenoxathiin-3-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenoxathiin-3-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenoxathiin-3-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-phenoxathiinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)phenoxathiin-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl(phenoxathiin-3-yl)amine Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC3=CC4=C(C=C3)SC5=CC=CC=C5O4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=CC4=C(C=C3)SC5=CC=CC=C5O4

InChI

InChI=1S/C21H17NO3S/c1-2-4-20-17(3-1)25-19-12-15(6-8-21(19)26-20)22-13-14-5-7-16-18(11-14)24-10-9-23-16/h1-8,11-12,22H,9-10,13H2