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

Systemtic Name: 5-[3-[cyclopropylcarbonyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[cyclopropanecarbonyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[[cyclopropyl(oxo)methyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[cyclopropanecarbonyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[cyclopropanecarbonyl(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]propyl]-2-thenoic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCC2=CC=C(S2)C(=O)O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1C(=O)N(CCCC2=CC=C(S2)C(=O)O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO5S/c23-20(15-4-5-15)22(9-1-2-16-6-8-19(28-16)21(24)25)13-14-3-7-17-18(12-14)27-11-10-26-17/h3,6-8,12,15H,1-2,4-5,9-11,13H2,(H,24,25)