dimethyl-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]oxyphenyl]sulfanium; methyl sulfate

Systemtic Name: dimethyl-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]oxyphenyl]sulfanium; methyl sulfate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]oxyphenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: dimethyl-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]phenyl]sulfonium; methyl sulfate IUPAC Name: dimethyl-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]oxyphenyl]sulfanium; methyl sulfate Traditional Name: [4-[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]oxyphenyl]-dimethyl-sulfonium; methyl sulfate Formula: C19H31NO8S3 MolecularWeight: 497.64634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC=C(C=C1)[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC=C(C=C1)[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H27NO4S2.CH4O4S/c1-18(2,3)23-17(21)19-15(11-12-24-4)16(20)22-13-7-9-14(10-8-13)25(5)6;1-5-6(2,3)4/h7-10,15H,11-12H2,1-6H3;1H3,(H,2,3,4)