N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[1-(2,5-dimethyl-3-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[1-(2,5-dimethyl-3-thiophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[1-(2,5-dimethyl-3-thienyl)ethyl]amine Formula: C17H21NO2S MolecularWeight: 303.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H21NO2S/c1-11-9-15(13(3)21-11)12(2)18-14-5-6-16-17(10-14)20-8-4-7-19-16/h5-6,9-10,12,18H,4,7-8H2,1-3H3