methyl 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxo-pentanoate CAS Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-5-(dipentylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dimethylphenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxopentanoate Traditional Name: 5-(diamylamino)-4-[[(3,4-dimethylphenyl)thio]methyl]-5-keto-valeric acid methyl ester Formula: C25H41NO3S MolecularWeight: 435.66294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO3S/c1-6-8-10-16-26(17-11-9-7-2)25(28)22(13-15-24(27)29-5)19-30-23-14-12-20(3)21(4)18-23/h12,14,18,22H,6-11,13,15-17,19H2,1-5H3