[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C15H22N2O4S/c1-11(2)17(12(3)4)13(18)9-21-15(19)10-22-14-7-5-6-8-16(14)20/h5-8,11-12H,9-10H2,1-4H3