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

Systemtic Name: ethyl 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)-2-(pyridin-3-ylcarbonylamino)ethanoate Openeye Name: ethyl 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)-2-(pyridine-3-carbonylamino)acetate CAS Name: 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]-2-[[oxo(3-pyridinyl)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)-2-(pyridine-3-carbonylamino)acetate Traditional Name: 2-[1-methyl-4-(nitrosothio)-4-piperidyl]-2-nicotinamido-acetic acid ethyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H22N4O4S/c1-3-24-15(22)13(18-14(21)12-5-4-8-17-11-12)16(25-19-23)6-9-20(2)10-7-16/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3,(H,18,21)