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

Systemtic Name: (4-chloranyl-3-oxidanylidene-1-phenylsulfanyl-butan-2-yl)-ethyl-carbamic acid Openeye Name: [3-chloro-2-oxo-1-(phenylsulfanylmethyl)propyl]-ethyl-carbamic acid CAS Name: [4-chloro-3-oxo-1-(phenylthio)butan-2-yl]-ethylcarbamic acid IUPAC Name: (4-chloro-3-oxo-1-phenylsulfanylbutan-2-yl)-ethylcarbamic acid Traditional Name: [3-chloro-2-keto-1-[(phenylthio)methyl]propyl]-ethyl-carbamic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3S/c1-2-15(13(17)18)11(12(16)8-14)9-19-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,17,18)