(3,3-dimethyl-2-oxidanylidene-butyl) 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H29NO4S/c1-17-8-12-19(13-9-17)30-20-14-10-18(11-15-20)25-22(27)6-5-7-23(28)29-16-21(26)24(2,3)4/h8-15H,5-7,16H2,1-4H3,(H,25,27)