4-(quinolin-8-ylmethylsulfanyl)benzoate

Systemtic Name: 4-(quinolin-8-ylmethylsulfanyl)benzoate Openeye Name: 4-(8-quinolylmethylsulfanyl)benzoate CAS Name: 4-(8-quinolinylmethylthio)benzoate IUPAC Name: 4-(quinolin-8-ylmethylsulfanyl)benzoate Traditional Name: 4-(8-quinolylmethylthio)benzoate Formula: C17H12NO2S- MolecularWeight: 294.34768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=CC=C(C=C3)C(=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=CC=C(C=C3)C(=O)[O-])N=CC=C2

InChI

InChI=1S/C17H13NO2S/c19-17(20)13-6-8-15(9-7-13)21-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-10H,11H2,(H,19,20)/p-1