2-acetamido-3-[1-(2-chlorophenyl)-3-oxidanylidene-nonyl]sulfanyl-propanoate

Systemtic Name: 2-acetamido-3-[1-(2-chlorophenyl)-3-oxidanylidene-nonyl]sulfanyl-propanoate Openeye Name: 2-acetamido-3-[1-(2-chlorophenyl)-3-oxo-nonyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[1-(2-chlorophenyl)-3-oxononyl]thio]propanoate IUPAC Name: 2-acetamido-3-[1-(2-chlorophenyl)-3-oxononyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[1-(2-chlorophenyl)-3-keto-nonyl]thio]propionate Formula: C20H27ClNO4S- MolecularWeight: 412.95068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CC(C1=CC=CC=C1Cl)SCC(C(=O)[O-])NC(=O)C

Isomeric SMILES

CCCCCCC(=O)CC(C1=CC=CC=C1Cl)SCC(C(=O)[O-])NC(=O)C

InChI

InChI=1S/C20H28ClNO4S/c1-3-4-5-6-9-15(24)12-19(16-10-7-8-11-17(16)21)27-13-18(20(25)26)22-14(2)23/h7-8,10-11,18-19H,3-6,9,12-13H2,1-2H3,(H,22,23)(H,25,26)/p-1