[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H25N3O4S/c1-13-8-10-15(11-9-13)29-18-16(7-6-12-22-18)19(26)28-14(2)17(25)23-20(27)24-21(3,4)5/h6-12,14H,1-5H3,(H2,23,24,25,27)/t14-/m1/s1