[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)OCC(=O)NCC2=CC=CS2)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)OCC(=O)NCC2=CC=CS2)[O-]

InChI

InChI=1S/C14H14N2O4S2/c17-12(15-8-11-4-3-7-21-11)9-20-14(18)10-22-13-5-1-2-6-16(13)19/h1-7H,8-10H2,(H,15,17)