6-butyl-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(5-chloro-2-thienyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(5-chloro-2-thienyl)cinchoninic acid Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H16ClNO2S/c1-2-3-4-11-5-6-14-12(9-11)13(18(21)22)10-15(20-14)16-7-8-17(19)23-16/h5-10H,2-4H2,1H3,(H,21,22)