6-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]sesamol Formula: C16H16ClNO3S MolecularWeight: 337.82114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C16H16ClNO3S/c1-2-5-18(9-12-3-4-16(17)22-12)8-11-6-14-15(7-13(11)19)21-10-20-14/h2-4,6-7,19H,1,5,8-10H2