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

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylthiophen-2-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-2-thienyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-2-thiophenyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromothiophen-2-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-2-thienyl)-1H-indole-5-carboxylic acid Formula: C17H17BrN2O2S MolecularWeight: 393.29808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=CC=C(S3)Br)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=CC=C(S3)Br)CCCCN

InChI

InChI=1S/C17H17BrN2O2S/c18-15-7-6-14(23-15)16-11(3-1-2-8-19)12-9-10(17(21)22)4-5-13(12)20-16/h4-7,9,20H,1-3,8,19H2,(H,21,22)