6-ethyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-ethyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(5-ethyl-2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-(5-ethyl-2-thienyl)cinchoninic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)CC

InChI

InChI=1S/C18H17NO2S/c1-3-11-5-7-15-13(9-11)14(18(20)21)10-16(19-15)17-8-6-12(4-2)22-17/h5-10H,3-4H2,1-2H3,(H,20,21)