2-[(3-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(3-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(3-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3-methoxycarbonylphenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(3-methoxycarbonylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-carbomethoxybenzyl)thio]nicotinate Formula: C15H12NO4S- MolecularWeight: 302.32508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C15H13NO4S/c1-20-15(19)11-5-2-4-10(8-11)9-21-13-12(14(17)18)6-3-7-16-13/h2-8H,9H2,1H3,(H,17,18)/p-1