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

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(5-chloro-2-thienyl)-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-thiophenyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chlorothiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(5-chloro-2-thienyl)-6-isopropyl-cinchoninic acid Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO2S/c1-9(2)10-3-4-13-11(7-10)12(17(20)21)8-14(19-13)15-5-6-16(18)22-15/h3-9H,1-2H3,(H,20,21)