methyl 3-[[2-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]thio]methyl]benzoic acid methyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(CCl)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H22ClNO3S/c1-20(2,13-21)19(24)22-16-9-4-5-10-17(16)26-12-14-7-6-8-15(11-14)18(23)25-3/h4-11H,12-13H2,1-3H3,(H,22,24)