3-(4-azanylbutyl)-2-(3-methylthiophen-2-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(3-methylthiophen-2-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-methyl-2-thienyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-methyl-2-thiophenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-methylthiophen-2-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-methyl-2-thienyl)-1H-indole-5-carboxylic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CC1=C(SC=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C18H20N2O2S/c1-11-7-9-23-17(11)16-13(4-2-3-8-19)14-10-12(18(21)22)5-6-15(14)20-16/h5-7,9-10,20H,2-4,8,19H2,1H3,(H,21,22)