(2-azanyl-2-oxidanylidene-ethyl) 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (2-amino-2-keto-ethyl) ester Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)OCC(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)OCC(=O)N)Cl

InChI

InChI=1S/C12H14ClNO3S/c13-9-3-5-10(6-4-9)18-7-1-2-12(16)17-8-11(14)15/h3-6H,1-2,7-8H2,(H2,14,15)