4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-(dipentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxopentanoic acid Traditional Name: 5-(diamylamino)-4-[[(3,4-dichlorophenyl)thio]methyl]-5-keto-valeric acid Formula: C22H33Cl2NO3S MolecularWeight: 462.47332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)CSC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C22H33Cl2NO3S/c1-3-5-7-13-25(14-8-6-4-2)22(28)17(9-12-21(26)27)16-29-18-10-11-19(23)20(24)15-18/h10-11,15,17H,3-9,12-14,16H2,1-2H3,(H,26,27)