phenylmethanamine; 2-thiophen-2-ylquinoline-4-carboxylic acid

Systemtic Name: phenylmethanamine; 2-thiophen-2-ylquinoline-4-carboxylic acid Openeye Name: phenylmethanamine; 2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: phenylmethanamine; 2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: phenylmethanamine; 2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: benzylamine; 2-(2-thienyl)cinchoninic acid Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H9NO2S.C7H9N/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;8-6-7-4-2-1-3-5-7/h1-8H,(H,16,17);1-5H,6,8H2