N-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-2-yl-ethanamine

Systemtic Name: N-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-2-yl-ethanamine Openeye Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(2-thienyl)ethanamine CAS Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-2-ylethanamine IUPAC Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-2-ylethanamine Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[1-(2-thienyl)ethyl]amine Formula: C15H16ClNO2S MolecularWeight: 309.81104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C1=CC=CS1)NCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C15H16ClNO2S/c1-10(14-3-2-6-20-14)17-9-11-7-12(16)15-13(8-11)18-4-5-19-15/h2-3,6-8,10,17H,4-5,9H2,1H3