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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO2S/c1-3-10(2)11-4-5-14-12(8-11)13(18(21)22)9-15(20-14)16-6-7-17(19)23-16/h4-10H,3H2,1-2H3,(H,21,22)