3-(4-azanylbutyl)-2-(1-benzothiophen-3-yl)-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(1-benzothiophen-3-yl)-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(benzothiophen-3-yl)-7-chloro-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(1-benzothiophen-3-yl)-7-chloro-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(1-benzothiophen-3-yl)-7-chloro-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(benzothiophen-3-yl)-7-chloro-1H-indole-4-carboxylic acid Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C3=C(C4=C(C=CC(=C4N3)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C21H19ClN2O2S/c22-16-9-8-14(21(25)26)18-13(6-3-4-10-23)19(24-20(16)18)15-11-27-17-7-2-1-5-12(15)17/h1-2,5,7-9,11,24H,3-4,6,10,23H2,(H,25,26)