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

Systemtic Name: ethyl 2-acetamido-2-(1-ethyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate hydrochloride Openeye Name: ethyl 2-acetamido-2-(1-ethyl-4-nitrososulfanyl-4-piperidyl)acetate hydrochloride CAS Name: 2-acetamido-2-[1-ethyl-4-(nitrosothio)-4-piperidinyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-acetamido-2-(1-ethyl-4-nitrososulfanylpiperidin-4-yl)acetate hydrochloride Traditional Name: 2-acetamido-2-[1-ethyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester hydrochloride Formula: C13H24ClN3O4S MolecularWeight: 353.86536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4S.ClH/c1-4-16-8-6-13(7-9-16,21-15-19)11(14-10(3)17)12(18)20-5-2;/h11H,4-9H2,1-3H3,(H,14,17);1H