ethyl (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]imino-propanoate

Systemtic Name: ethyl (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]imino-propanoate Openeye Name: ethyl (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methoxy]imino-propanoate CAS Name: (2Z)-3-(tert-butylthio)-2-[cyclohexyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoate Traditional Name: (2Z)-3-(tert-butylthio)-2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]oximino-propionic acid ethyl ester Formula: C32H40N2O4S MolecularWeight: 548.736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CSC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=N/OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/CSC(C)(C)C

InChI

InChI=1S/C32H40N2O4S/c1-5-36-31(35)29(22-39-32(2,3)4)34-38-30(24-12-7-6-8-13-24)25-16-19-27(20-17-25)37-21-26-18-15-23-11-9-10-14-28(23)33-26/h9-11,14-20,24,30H,5-8,12-13,21-22H2,1-4H3/b34-29+