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

Systemtic Name: 5-(dipentylamino)-4-[(4-methylphenyl)sulfanylmethyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(dipentylamino)-5-oxo-4-(p-tolylsulfanylmethyl)pentanoic acid CAS Name: 5-(dipentylamino)-4-[[(4-methylphenyl)thio]methyl]-5-oxopentanoic acid IUPAC Name: 5-(dipentylamino)-4-[(4-methylphenyl)sulfanylmethyl]-5-oxopentanoic acid Traditional Name: 5-(diamylamino)-5-keto-4-[(p-tolylthio)methyl]valeric acid Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO3S/c1-4-6-8-16-24(17-9-7-5-2)23(27)20(12-15-22(25)26)18-28-21-13-10-19(3)11-14-21/h10-11,13-14,20H,4-9,12,15-18H2,1-3H3,(H,25,26)