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

Systemtic Name: methyl 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxo-pentanoate CAS Name: 4-[[(3,4-dichlorophenyl)thio]methyl]-5-(dipentylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 4-[(3,4-dichlorophenyl)sulfanylmethyl]-5-(dipentylamino)-5-oxopentanoate Traditional Name: 5-(diamylamino)-4-[[(3,4-dichlorophenyl)thio]methyl]-5-keto-valeric acid methyl ester Formula: C23H35Cl2NO3S MolecularWeight: 476.4999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35Cl2NO3S/c1-4-6-8-14-26(15-9-7-5-2)23(28)18(10-13-22(27)29-3)17-30-19-11-12-20(24)21(25)16-19/h11-12,16,18H,4-10,13-15,17H2,1-3H3