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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(1,3-thiazol-2-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-thiazol-2-yl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2-thiazolyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(1,3-thiazol-2-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-thiazol-2-yl-1H-indole-4-carboxylic acid Formula: C16H16ClN3O2S MolecularWeight: 349.83514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=NC=CS3)CCCCN)Cl

Isomeric SMILES

C1=CC(=C2C(=C1C(=O)O)C(=C(N2)C3=NC=CS3)CCCCN)Cl

InChI

InChI=1S/C16H16ClN3O2S/c17-11-5-4-10(16(21)22)12-9(3-1-2-6-18)13(20-14(11)12)15-19-7-8-23-15/h4-5,7-8,20H,1-3,6,18H2,(H,21,22)