methyl 3-[6-(dimethylamino)-1-(3-methoxyphenyl)-4-methyl-6-oxidanylidene-hexyl]sulfanylpropanoate

Systemtic Name: methyl 3-[6-(dimethylamino)-1-(3-methoxyphenyl)-4-methyl-6-oxidanylidene-hexyl]sulfanylpropanoate Openeye Name: methyl 3-[6-(dimethylamino)-1-(3-methoxyphenyl)-4-methyl-6-oxo-hexyl]sulfanylpropanoate CAS Name: 3-[[6-(dimethylamino)-1-(3-methoxyphenyl)-4-methyl-6-oxohexyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[6-(dimethylamino)-1-(3-methoxyphenyl)-4-methyl-6-oxohexyl]sulfanylpropanoate Traditional Name: 3-[[6-(dimethylamino)-6-keto-1-(3-methoxyphenyl)-4-methyl-hexyl]thio]propionic acid methyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC(=CC=C1)OC)SCCC(=O)OC)CC(=O)N(C)C

Isomeric SMILES

CC(CCC(C1=CC(=CC=C1)OC)SCCC(=O)OC)CC(=O)N(C)C

InChI

InChI=1S/C20H31NO4S/c1-15(13-19(22)21(2)3)9-10-18(26-12-11-20(23)25-5)16-7-6-8-17(14-16)24-4/h6-8,14-15,18H,9-13H2,1-5H3