tert-butyl 2-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-5-phenyl-pentanoate; methanamine

Systemtic Name: tert-butyl 2-(furan-2-ylmethylsulfanyl)-3-oxidanylidene-5-phenyl-pentanoate; methanamine Openeye Name: tert-butyl 2-(2-furylmethylsulfanyl)-3-oxo-5-phenyl-pentanoate; methanamine CAS Name: 2-(2-furanylmethylthio)-3-oxo-5-phenylpentanoic acid tert-butyl ester; methanamine IUPAC Name: tert-butyl 2-(furan-2-ylmethylsulfanyl)-3-oxo-5-phenylpentanoate; methanamine Traditional Name: 2-(2-furfurylthio)-3-keto-5-phenyl-valeric acid tert-butyl ester; methylamine Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)CCC1=CC=CC=C1)SCC2=CC=CO2.CN

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)CCC1=CC=CC=C1)SCC2=CC=CO2.CN

InChI

InChI=1S/C20H24O4S.CH5N/c1-20(2,3)24-19(22)18(25-14-16-10-7-13-23-16)17(21)12-11-15-8-5-4-6-9-15;1-2/h4-10,13,18H,11-12,14H2,1-3H3;2H2,1H3