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

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-5-(dipentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxopentanoic acid Traditional Name: 5-(diamylamino)-4-[[(3,4-dimethylphenyl)thio]methyl]-5-keto-valeric acid Formula: C24H39NO3S MolecularWeight: 421.63636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO3S/c1-5-7-9-15-25(16-10-8-6-2)24(28)21(12-14-23(26)27)18-29-22-13-11-19(3)20(4)17-22/h11,13,17,21H,5-10,12,14-16,18H2,1-4H3,(H,26,27)