[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic 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=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC=NC=C2

InChI

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