5-[(4-tert-butylsulfanylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-tert-butylsulfanylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-tert-butylsulfanylanilino)-5-oxo-pentanoic acid CAS Name: 5-[4-(tert-butylthio)anilino]-5-oxopentanoic acid IUPAC Name: 5-(4-tert-butylsulfanylanilino)-5-oxopentanoic acid Traditional Name: 5-[4-(tert-butylthio)anilino]-5-keto-valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C15H21NO3S/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)