tert-butyl-(4-chloranyl-3-oxidanylidene-1-phenylsulfanyl-butan-2-yl)carbamic acid

Systemtic Name: tert-butyl-(4-chloranyl-3-oxidanylidene-1-phenylsulfanyl-butan-2-yl)carbamic acid Openeye Name: tert-butyl-[3-chloro-2-oxo-1-(phenylsulfanylmethyl)propyl]carbamic acid CAS Name: tert-butyl-[4-chloro-3-oxo-1-(phenylthio)butan-2-yl]carbamic acid IUPAC Name: tert-butyl-(4-chloro-3-oxo-1-phenylsulfanylbutan-2-yl)carbamic acid Traditional Name: tert-butyl-[3-chloro-2-keto-1-[(phenylthio)methyl]propyl]carbamic acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(CSC1=CC=CC=C1)C(=O)CCl)C(=O)O

Isomeric SMILES

CC(C)(C)N(C(CSC1=CC=CC=C1)C(=O)CCl)C(=O)O

InChI

InChI=1S/C15H20ClNO3S/c1-15(2,3)17(14(19)20)12(13(18)9-16)10-21-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,19,20)