2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 2-(5-chloro-2-thienyl)quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid; phenylmethanamine Traditional Name: benzylamine; 2-(5-chloro-2-thienyl)cinchoninic acid Formula: C21H17ClN2O2S MolecularWeight: 396.88988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C14H8ClNO2S.C7H9N/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11;8-6-7-4-2-1-3-5-7/h1-7H,(H,17,18);1-5H,6,8H2