4-[(4-chlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-5-(dipentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxopentanoic acid Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-5-(diamylamino)-5-keto-valeric acid Formula: C22H34ClNO3S MolecularWeight: 428.02826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClNO3S/c1-3-5-7-15-24(16-8-6-4-2)22(27)18(9-14-21(25)26)17-28-20-12-10-19(23)11-13-20/h10-13,18H,3-9,14-17H2,1-2H3,(H,25,26)