ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propanoyl-1-propan-2-yl-piperazin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propanoyl-1-propan-2-yl-piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[3-(tert-butoxycarbonylamino)-1-isopropyl-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-oxopropyl)-1-propan-2-yl-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propanoyl-1-propan-2-ylpiperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-(tert-butoxycarbonylamino)-1-isopropyl-4-propionyl-piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C23H36N4O5S MolecularWeight: 480.62074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)OC(C)(C)C)SC2=C(C=CC=N2)C(=O)OCC)C(C)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)OC(C)(C)C)SC2=C(C=CC=N2)C(=O)OCC)C(C)C

InChI

InChI=1S/C23H36N4O5S/c1-8-17(28)27-14-13-26(15(3)4)20(18(27)25-22(30)32-23(5,6)7)33-19-16(11-10-12-24-19)21(29)31-9-2/h10-12,15,18,20H,8-9,13-14H2,1-7H3,(H,25,30)