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

Systemtic Name: methyl 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)-2-(pyridin-3-ylcarbonylamino)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(C(=O)OC)NC(=O)C2=CN=CC=C2)SN=O

Isomeric SMILES

CN1CCC(CC1)(C(C(=O)OC)NC(=O)C2=CN=CC=C2)SN=O

InChI

InChI=1S/C15H20N4O4S/c1-19-8-5-15(6-9-19,24-18-22)12(14(21)23-2)17-13(20)11-4-3-7-16-10-11/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,17,20)