5-[[2-chloranyl-6-(4-chlorophenyl)sulfanyl-phenyl]methylamino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-chloranyl-6-(4-chlorophenyl)sulfanyl-phenyl]methylamino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-chloro-6-(4-chlorophenyl)sulfanyl-phenyl]methylamino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[2-chloro-6-[(4-chlorophenyl)thio]phenyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[2-chloro-6-[(4-chlorophenyl)thio]benzyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C20H21Cl2NO3S MolecularWeight: 426.35664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NCC1=C(C=CC=C1Cl)SC2=CC=C(C=C2)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NCC1=C(C=CC=C1Cl)SC2=CC=C(C=C2)Cl)CC(=O)O

InChI

InChI=1S/C20H21Cl2NO3S/c1-20(2,11-19(25)26)10-18(24)23-12-15-16(22)4-3-5-17(15)27-14-8-6-13(21)7-9-14/h3-9H,10-12H2,1-2H3,(H,23,24)(H,25,26)