2-[6-chloranyl-3-(2-dimethylaminoethyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[6-chloranyl-3-(2-dimethylaminoethyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[6-chloro-3-(2-dimethylaminoethyl)indol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[6-chloro-3-(2-dimethylaminoethyl)-1-indolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[6-chloro-3-(2-dimethylaminoethyl)indol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[6-chloro-3-(2-dimethylaminoethyl)indol-1-yl]thiazole-4-carboxylic acid Formula: C16H16ClN3O2S MolecularWeight: 349.83514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CN(C)CCC1=CN(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C16H16ClN3O2S/c1-19(2)6-5-10-8-20(14-7-11(17)3-4-12(10)14)16-18-13(9-23-16)15(21)22/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)