2-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methylthio]-3-quinolinecarboxylate IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxylate Traditional Name: 2-(p-anisylthio)quinoline-3-carboxylate Formula: C18H14NO3S- MolecularWeight: 324.37366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)11-23-17-15(18(20)21)10-13-4-2-3-5-16(13)19-17/h2-10H,11H2,1H3,(H,20,21)/p-1