2-(quinolin-8-ylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(quinolin-8-ylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(8-quinolylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(8-quinolinylmethylthio)-3-pyridinecarboxylate IUPAC Name: 2-(quinolin-8-ylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(8-quinolylmethylthio)nicotinate Formula: C16H11N2O2S- MolecularWeight: 295.33574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=C(C=CC=N3)C(=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=C(C=CC=N3)C(=O)[O-])N=CC=C2

InChI

InChI=1S/C16H12N2O2S/c19-16(20)13-7-3-9-18-15(13)21-10-12-5-1-4-11-6-2-8-17-14(11)12/h1-9H,10H2,(H,19,20)/p-1