[1-[3-(3-methylsulfanylpropanoylamino)phenoxy]-3-(propylcarbamoyloxy)propyl] 3-oxidanylidenebutanoate

Systemtic Name: [1-[3-(3-methylsulfanylpropanoylamino)phenoxy]-3-(propylcarbamoyloxy)propyl] 3-oxidanylidenebutanoate Openeye Name: [1-[3-(3-methylsulfanylpropanoylamino)phenoxy]-3-(propylcarbamoyloxy)propyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-[3-[[3-(methylthio)-1-oxopropyl]amino]phenoxy]-3-[oxo(propylamino)methoxy]propyl] ester IUPAC Name: [1-[3-(3-methylsulfanylpropanoylamino)phenoxy]-3-(propylcarbamoyloxy)propyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-[3-[3-(methylthio)propanoylamino]phenoxy]-3-(propylcarbamoyloxy)propyl] ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCCC(OC1=CC=CC(=C1)NC(=O)CCSC)OC(=O)CC(=O)C

Isomeric SMILES

CCCNC(=O)OCCC(OC1=CC=CC(=C1)NC(=O)CCSC)OC(=O)CC(=O)C

InChI

InChI=1S/C21H30N2O7S/c1-4-10-22-21(27)28-11-8-20(30-19(26)13-15(2)24)29-17-7-5-6-16(14-17)23-18(25)9-12-31-3/h5-7,14,20H,4,8-13H2,1-3H3,(H,22,27)(H,23,25)