[1-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]azanium chloride

Systemtic Name: [1-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-(triphenylmethyl)sulfanyl-propan-2-yl]azanium chloride Openeye Name: [2-[(1-methoxycarbonyl-2-methyl-propyl)amino]-2-oxo-1-(tritylsulfanylmethyl)ethyl]ammonium chloride CAS Name: [1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-[(triphenylmethyl)thio]propan-2-yl]ammonium chloride IUPAC Name: [1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-tritylsulfanylpropan-2-yl]azanium chloride Traditional Name: [2-[(1-carbomethoxy-2-methyl-propyl)amino]-2-keto-1-[(tritylthio)methyl]ethyl]ammonium chloride Formula: C28H33ClN2O3S MolecularWeight: 513.09122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[NH3+].[Cl-]

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[NH3+].[Cl-]

InChI

InChI=1S/C28H32N2O3S.ClH/c1-20(2)25(27(32)33-3)30-26(31)24(29)19-34-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-18,20,24-25H,19,29H2,1-3H3,(H,30,31);1H