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

Systemtic Name: 4-ethoxyaniline; 2-thiophen-2-ylquinoline-4-carboxylic acid Openeye Name: 4-ethoxyaniline; 2-(2-thienyl)quinoline-4-carboxylic acid CAS Name: 4-ethoxyaniline; 2-thiophen-2-yl-4-quinolinecarboxylic acid IUPAC Name: 4-ethoxyaniline; 2-thiophen-2-ylquinoline-4-carboxylic acid Traditional Name: p-phenetidine; 2-(2-thienyl)cinchoninic acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C14H9NO2S.C8H11NO/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;1-2-10-8-5-3-7(9)4-6-8/h1-8H,(H,16,17);3-6H,2,9H2,1H3