[2-acetamido-1-[3-(3-butylsulfanylpropanoylamino)phenoxy]-3-methoxy-propyl] ethanoate

Systemtic Name: [2-acetamido-1-[3-(3-butylsulfanylpropanoylamino)phenoxy]-3-methoxy-propyl] ethanoate Openeye Name: [2-acetamido-1-[3-(3-butylsulfanylpropanoylamino)phenoxy]-3-methoxy-propyl] acetate CAS Name: acetic acid [2-acetamido-1-[3-[[3-(butylthio)-1-oxopropyl]amino]phenoxy]-3-methoxypropyl] ester IUPAC Name: [2-acetamido-1-[3-(3-butylsulfanylpropanoylamino)phenoxy]-3-methoxypropyl] acetate Traditional Name: acetic acid [2-acetamido-1-[3-[3-(butylthio)propanoylamino]phenoxy]-3-methoxy-propyl] ester Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC(=O)NC1=CC(=CC=C1)OC(C(COC)NC(=O)C)OC(=O)C

Isomeric SMILES

CCCCSCCC(=O)NC1=CC(=CC=C1)OC(C(COC)NC(=O)C)OC(=O)C

InChI

InChI=1S/C21H32N2O6S/c1-5-6-11-30-12-10-20(26)23-17-8-7-9-18(13-17)29-21(28-16(3)25)19(14-27-4)22-15(2)24/h7-9,13,19,21H,5-6,10-12,14H2,1-4H3,(H,22,24)(H,23,26)