ethyl 2-(1-ethyl-4-nitrososulfanyl-piperidin-4-yl)-2-formamido-ethanoate hydrochloride

Systemtic Name: ethyl 2-(1-ethyl-4-nitrososulfanyl-piperidin-4-yl)-2-formamido-ethanoate hydrochloride Openeye Name: ethyl 2-(1-ethyl-4-nitrososulfanyl-4-piperidyl)-2-formamido-acetate hydrochloride CAS Name: 2-[1-ethyl-4-(nitrosothio)-4-piperidinyl]-2-formamidoacetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(1-ethyl-4-nitrososulfanylpiperidin-4-yl)-2-formamidoacetate hydrochloride Traditional Name: 2-[1-ethyl-4-(nitrosothio)-4-piperidyl]-2-formamido-acetic acid ethyl ester hydrochloride Formula: C12H22ClN3O4S MolecularWeight: 339.83878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(C(=O)OCC)NC=O)SN=O.Cl

Isomeric SMILES

CCN1CCC(CC1)(C(C(=O)OCC)NC=O)SN=O.Cl

InChI

InChI=1S/C12H21N3O4S.ClH/c1-3-15-7-5-12(6-8-15,20-14-18)10(13-9-16)11(17)19-4-2;/h9-10H,3-8H2,1-2H3,(H,13,16);1H