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

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)sulfanylmethyl]-4-(dipentylamino)-4-oxidanylidene-butanoate Openeye Name: methyl 3-[(3,4-dichlorophenyl)sulfanylmethyl]-4-(dipentylamino)-4-oxo-butanoate CAS Name: 3-[[(3,4-dichlorophenyl)thio]methyl]-4-(dipentylamino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)sulfanylmethyl]-4-(dipentylamino)-4-oxobutanoate Traditional Name: 4-(diamylamino)-3-[[(3,4-dichlorophenyl)thio]methyl]-4-keto-butyric acid methyl ester Formula: C22H33Cl2NO3S MolecularWeight: 462.47332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33Cl2NO3S/c1-4-6-8-12-25(13-9-7-5-2)22(27)17(14-21(26)28-3)16-29-18-10-11-19(23)20(24)15-18/h10-11,15,17H,4-9,12-14,16H2,1-3H3