(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C(=O)N)OC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-9(13(15)17)18-12(16)3-2-8-19-11-6-4-10(14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H2,15,17)