sodium 5-[(4-tert-butylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: sodium 5-[(4-tert-butylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: sodium 5-(4-tert-butylsulfanylanilino)-5-oxo-pentanoate CAS Name: sodium 5-[4-(tert-butylthio)anilino]-5-oxopentanoate IUPAC Name: sodium 5-(4-tert-butylsulfanylanilino)-5-oxopentanoate Traditional Name: sodium 5-[4-(tert-butylthio)anilino]-5-keto-valerate Formula: C15H20NNaO3S MolecularWeight: 317.37897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)NC(=O)CCCC(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)NC(=O)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C15H21NO3S.Na/c1-15(2,3)20-12-9-7-11(8-10-12)16-13(17)5-4-6-14(18)19;/h7-10H,4-6H2,1-3H3,(H,16,17)(H,18,19);/q;+1/p-1