N-[(2,5-dimethoxyphenyl)methyl]phenoxathiin-3-amine

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]phenoxathiin-3-amine Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]phenoxathiin-3-amine CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-3-phenoxathiinamine IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]phenoxathiin-3-amine Traditional Name: (2,5-dimethoxybenzyl)-phenoxathiin-3-yl-amine Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3

InChI

InChI=1S/C21H19NO3S/c1-23-16-8-9-17(24-2)14(11-16)13-22-15-7-10-21-19(12-15)25-18-5-3-4-6-20(18)26-21/h3-12,22H,13H2,1-2H3