[4-[1-acetyloxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanyl-phenyl] benzoate

Systemtic Name: [4-[1-acetyloxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanyl-phenyl] benzoate Openeye Name: [4-[1-acetoxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-methylsulfanyl-phenyl] benzoate CAS Name: benzoic acid [4-[1-acetyloxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[1-acetyloxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-2-methylsulfanylphenyl] benzoate Traditional Name: benzoic acid [4-[1-acetoxy-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-(methylthio)phenyl] ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)SC)OC(=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)SC)OC(=O)C

InChI

InChI=1S/C29H33NO5S/c1-20(10-11-22-12-15-25(33-3)16-13-22)30-19-27(34-21(2)31)24-14-17-26(28(18-24)36-4)35-29(32)23-8-6-5-7-9-23/h5-9,12-18,20,27,30H,10-11,19H2,1-4H3