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

Systemtic Name: 5-[[2-chloranyl-6-(4-chlorophenyl)sulfanyl-phenyl]methylamino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[[2-chloro-6-(4-chlorophenyl)sulfanyl-phenyl]methylamino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[[2-chloro-6-[(4-chlorophenyl)thio]phenyl]methylamino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methylamino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[[2-chloro-6-[(4-chlorophenyl)thio]benzyl]amino]-5-keto-3,3-dimethyl-valerate Formula: C20H20Cl2NO3S- MolecularWeight: 425.3487

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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)/p-1