5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propyl]-2-thenoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNCCCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNCCCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C17H19NO4S/c19-17(20)16-6-4-13(23-16)2-1-7-18-11-12-3-5-14-15(10-12)22-9-8-21-14/h3-6,10,18H,1-2,7-9,11H2,(H,19,20)