[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-14(18(21)19-15-8-4-2-5-9-15)22-17(20)12-13-23-16-10-6-3-7-11-16/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,19,21)