2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]-4-(methylthio)butyric acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC(CCSC)C(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC(CCSC)C(=O)O)C(=O)C1)C

InChI

InChI=1S/C14H21NO4S/c1-14(2)6-11(16)9(12(17)7-14)8-15-10(13(18)19)4-5-20-3/h8,10,15H,4-7H2,1-3H3,(H,18,19)