6-cycloheptyl-4-sulfanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-cycloheptyl-4-sulfanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-cycloheptyl-4-thioxo-1H-quinoline-3-carboxylic acid CAS Name: 6-cycloheptyl-4-sulfanylidene-1H-quinoline-3-carboxylic acid IUPAC Name: 6-cycloheptyl-4-sulfanylidene-1H-quinoline-3-carboxylic acid Traditional Name: 6-cycloheptyl-4-thioxo-1H-quinoline-3-carboxylic acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=CC3=C(C=C2)NC=C(C3=S)C(=O)O

Isomeric SMILES

C1CCCC(CC1)C2=CC3=C(C=C2)NC=C(C3=S)C(=O)O

InChI

InChI=1S/C17H19NO2S/c19-17(20)14-10-18-15-8-7-12(9-13(15)16(14)21)11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,18,21)(H,19,20)