5-[[4-(dimethylamino)butanoylamino]methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[4-(dimethylamino)butanoylamino]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[[4-(dimethylamino)butanoylamino]methyl]thiophene-2-carboxylic acid CAS Name: 5-[[[4-(dimethylamino)-1-oxobutyl]amino]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[4-(dimethylamino)butanoylamino]methyl]thiophene-2-carboxylic acid Traditional Name: 5-[[4-(dimethylamino)butanoylamino]methyl]-2-thenoic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)NCC1=CC=C(S1)C(=O)O

Isomeric SMILES

CN(C)CCCC(=O)NCC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-14(2)7-3-4-11(15)13-8-9-5-6-10(18-9)12(16)17/h5-6H,3-4,7-8H2,1-2H3,(H,13,15)(H,16,17)