[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C15H16N2O3S2/c18-14(10-20-15(19)12-3-1-5-16-9-12)17-6-8-21-11-13-4-2-7-22-13/h1-5,7,9H,6,8,10-11H2,(H,17,18)