ethyl 2-(1-ethyl-4-nitrososulfanyl-piperidin-4-yl)-2-(pyridin-3-ylcarbonylamino)ethanoate hydrochloride

Systemtic Name: ethyl 2-(1-ethyl-4-nitrososulfanyl-piperidin-4-yl)-2-(pyridin-3-ylcarbonylamino)ethanoate hydrochloride Openeye Name: ethyl 2-(1-ethyl-4-nitrososulfanyl-4-piperidyl)-2-(pyridine-3-carbonylamino)acetate hydrochloride CAS Name: 2-[1-ethyl-4-(nitrosothio)-4-piperidinyl]-2-[[oxo(3-pyridinyl)methyl]amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(1-ethyl-4-nitrososulfanylpiperidin-4-yl)-2-(pyridine-3-carbonylamino)acetate hydrochloride Traditional Name: 2-[1-ethyl-4-(nitrosothio)-4-piperidyl]-2-nicotinamido-acetic acid ethyl ester hydrochloride Formula: C17H25ClN4O4S MolecularWeight: 416.9228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(C(=O)OCC)NC(=O)C2=CN=CC=C2)SN=O.Cl

Isomeric SMILES

CCN1CCC(CC1)(C(C(=O)OCC)NC(=O)C2=CN=CC=C2)SN=O.Cl

InChI

InChI=1S/C17H24N4O4S.ClH/c1-3-21-10-7-17(8-11-21,26-20-24)14(16(23)25-4-2)19-15(22)13-6-5-9-18-12-13;/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,19,22);1H