[4-[2-[5-(4-methoxyphenyl)pentan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate

Systemtic Name: [4-[2-[5-(4-methoxyphenyl)pentan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate Openeye Name: [4-[2-[[4-(4-methoxyphenyl)-1-methyl-butyl]amino]acetyl]-2-methylsulfanyl-phenyl] acetate CAS Name: acetic acid [4-[2-[5-(4-methoxyphenyl)pentan-2-ylamino]-1-oxoethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[2-[5-(4-methoxyphenyl)pentan-2-ylamino]acetyl]-2-methylsulfanylphenyl] acetate Traditional Name: acetic acid [4-[2-[[4-(4-methoxyphenyl)-1-methyl-butyl]amino]acetyl]-2-(methylthio)phenyl] ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC

Isomeric SMILES

CC(CCCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC

InChI

InChI=1S/C23H29NO4S/c1-16(6-5-7-18-8-11-20(27-3)12-9-18)24-15-21(26)19-10-13-22(28-17(2)25)23(14-19)29-4/h8-14,16,24H,5-7,15H2,1-4H3