dimethyl 3-butyl-1-[2-(2,2-dimethylpropoxycarbothioylsulfanyl)-2-oxidanylidene-ethanoyl]aziridine-2,2-dicarboxylate

Systemtic Name: dimethyl 3-butyl-1-[2-(2,2-dimethylpropoxycarbothioylsulfanyl)-2-oxidanylidene-ethanoyl]aziridine-2,2-dicarboxylate Openeye Name: dimethyl 3-butyl-1-[2-(2,2-dimethylpropoxycarbothioylsulfanyl)-2-oxo-acetyl]aziridine-2,2-dicarboxylate CAS Name: 3-butyl-1-[2-[[2,2-dimethylpropoxy(sulfanylidene)methyl]thio]-1,2-dioxoethyl]aziridine-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-butyl-1-[2-(2,2-dimethylpropoxycarbothioylsulfanyl)-2-oxoacetyl]aziridine-2,2-dicarboxylate Traditional Name: 3-butyl-1-[2-keto-2-(neopentyloxycarbothioylthio)acetyl]ethylenimine-2,2-dicarboxylic acid dimethyl ester Formula: C18H27NO7S2 MolecularWeight: 433.53948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N1C(=O)C(=O)SC(=S)OCC(C)(C)C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1C(N1C(=O)C(=O)SC(=S)OCC(C)(C)C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H27NO7S2/c1-7-8-9-11-18(14(22)24-5,15(23)25-6)19(11)12(20)13(21)28-16(27)26-10-17(2,3)4/h11H,7-10H2,1-6H3