[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2-(tert-butoxycarbonylamino)acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate Traditional Name: 2-(tert-butoxycarbonylamino)acetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)OC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)O[C@@H]1CCCC[C@@]1(C2=CN=CC=C2)C(=S)NC

InChI

InChI=1S/C20H29N3O4S/c1-19(2,3)27-18(25)23-13-16(24)26-15-9-5-6-10-20(15,17(28)21-4)14-8-7-11-22-12-14/h7-8,11-12,15H,5-6,9-10,13H2,1-4H3,(H,21,28)(H,23,25)/t15-,20+/m1/s1