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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=C(C=CC=N3)C(=O)[O-]

InChI

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