S-(3-oxidanylidenebutanoyl) 4-azanylidene-4-(3-oxidanylidenebutanoylsulfanyl)butanethioate

Systemtic Name: S-(3-oxidanylidenebutanoyl) 4-azanylidene-4-(3-oxidanylidenebutanoylsulfanyl)butanethioate Openeye Name: S-(3-oxobutanoyl) 4-imino-4-(3-oxobutanoylsulfanyl)butanethioate CAS Name: 4-(1,3-dioxobutylthio)-4-iminobutanethioic acid S-(1,3-dioxobutyl) ester IUPAC Name: S-(3-oxobutanoyl) 4-imino-4-(3-oxobutanoylsulfanyl)butanethioate Traditional Name: 4-(acetoacetylthio)-4-imino-butanethioic acid S-acetoacetyl ester Formula: C12H15NO5S2 MolecularWeight: 317.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)SC(=N)CCC(=O)SC(=O)CC(=O)C

Isomeric SMILES

CC(=O)CC(=O)SC(=N)CCC(=O)SC(=O)CC(=O)C

InChI

InChI=1S/C12H15NO5S2/c1-7(14)5-11(17)19-9(13)3-4-10(16)20-12(18)6-8(2)15/h13H,3-6H2,1-2H3