methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]carbamothioyl]-6-phenyl-pyridine-2-carboxylate

Systemtic Name: methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]carbamothioyl]-6-phenyl-pyridine-2-carboxylate Openeye Name: methyl 5-[[(1S)-1-(tert-butoxymethyl)-2-methoxy-2-oxo-ethyl]carbamothioyl]-6-phenyl-pyridine-2-carboxylate CAS Name: 5-[[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-sulfanylidenemethyl]-6-phenyl-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(2S)-1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamothioyl]-6-phenylpyridine-2-carboxylate Traditional Name: 5-[[(1S)-1-(tert-butoxymethyl)-2-keto-2-methoxy-ethyl]thiocarbamoyl]-6-phenyl-picolinic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC)NC(=S)C1=C(N=C(C=C1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC[C@@H](C(=O)OC)NC(=S)C1=C(N=C(C=C1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-22(2,3)29-13-17(21(26)28-5)24-19(30)15-11-12-16(20(25)27-4)23-18(15)14-9-7-6-8-10-14/h6-12,17H,13H2,1-5H3,(H,24,30)/t17-/m0/s1