ethyl 2-[3-(2-adamantylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-adamantylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[3-(2-adamantylamino)-2-(tert-butoxycarbonylamino)-3-oxo-propyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-(2-adamantylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-adamantylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-(2-adamantylamino)-2-(tert-butoxycarbonylamino)-3-keto-propyl]thio]nicotinic acid ethyl ester Formula: C26H37N3O5S MolecularWeight: 503.65408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCC(C(=O)NC2C3CC4CC(C3)CC2C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCC(C(=O)NC2C3CC4CC(C3)CC2C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H37N3O5S/c1-5-33-24(31)19-7-6-8-27-23(19)35-14-20(28-25(32)34-26(2,3)4)22(30)29-21-17-10-15-9-16(12-17)13-18(21)11-15/h6-8,15-18,20-21H,5,9-14H2,1-4H3,(H,28,32)(H,29,30)