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

Systemtic Name: (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]imino-propanoic acid Openeye Name: (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methoxy]imino-propanoic acid CAS Name: (2Z)-3-(tert-butylthio)-2-[cyclohexyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoic acid IUPAC Name: (2Z)-3-tert-butylsulfanyl-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Traditional Name: (2Z)-3-(tert-butylthio)-2-[cyclohexyl-[4-(2-quinolylmethoxy)phenyl]methyl]oximino-propionic acid Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)SC/C(=N\OC(C1CCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O

InChI

InChI=1S/C30H36N2O4S/c1-30(2,3)37-20-27(29(33)34)32-36-28(22-10-5-4-6-11-22)23-14-17-25(18-15-23)35-19-24-16-13-21-9-7-8-12-26(21)31-24/h7-9,12-18,22,28H,4-6,10-11,19-20H2,1-3H3,(H,33,34)/b32-27+