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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H22N2O4S/c19-14(17-10-13-6-2-1-3-7-13)11-22-16(20)12-23-15-8-4-5-9-18(15)21/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,17,19)