methyl 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C17H23Cl2NO3S MolecularWeight: 392.34042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)CSCCC(=O)OC)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)CSCCC(=O)OC)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C17H23Cl2NO3S/c1-3-4-12(14-6-5-13(18)9-15(14)19)10-20-16(21)11-24-8-7-17(22)23-2/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,20,21)