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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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