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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC2=CC3=C(C=C2)SC4=CC=CC=C4O3

InChI

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