methyl 2-[3-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-3-(3-methoxyphenyl)propyl]benzoate

Systemtic Name: methyl 2-[3-[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-3-(3-methoxyphenyl)propyl]benzoate Openeye Name: methyl 2-[3-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-3-(3-methoxyphenyl)propyl]benzoate CAS Name: 2-[3-[[3-(dimethylamino)-3-oxopropyl]thio]-3-(3-methoxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(dimethylamino)-3-oxopropyl]sulfanyl-3-(3-methoxyphenyl)propyl]benzoate Traditional Name: 2-[3-[[3-(dimethylamino)-3-keto-propyl]thio]-3-(3-methoxyphenyl)propyl]benzoic acid methyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSC(CCC1=CC=CC=C1C(=O)OC)C2=CC(=CC=C2)OC

Isomeric SMILES

CN(C)C(=O)CCSC(CCC1=CC=CC=C1C(=O)OC)C2=CC(=CC=C2)OC

InChI

InChI=1S/C23H29NO4S/c1-24(2)22(25)14-15-29-21(18-9-7-10-19(16-18)27-3)13-12-17-8-5-6-11-20(17)23(26)28-4/h5-11,16,21H,12-15H2,1-4H3