(2E)-2-[cyclohexyl-[6-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]iminopropanoic acid

Systemtic Name: (2E)-2-[cyclohexyl-[6-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]iminopropanoic acid Openeye Name: (2E)-2-[cyclohexyl-[6-(2-quinolylmethoxy)benzothiophen-2-yl]methoxy]iminopropanoic acid CAS Name: (2E)-2-[cyclohexyl-[6-(2-quinolinylmethoxy)-1-benzothiophen-2-yl]methoxy]iminopropanoic acid IUPAC Name: (2E)-2-[cyclohexyl-[6-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]iminopropanoic acid Traditional Name: (2E)-2-[cyclohexyl-[6-(2-quinolylmethoxy)benzothiophen-2-yl]methyl]oximinopropionic acid Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCC1)C2=CC3=C(S2)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C/C(=N\OC(C1CCCCC1)C2=CC3=C(S2)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)/C(=O)O

InChI

InChI=1S/C28H28N2O4S/c1-18(28(31)32)30-34-27(20-8-3-2-4-9-20)26-15-21-12-14-23(16-25(21)35-26)33-17-22-13-11-19-7-5-6-10-24(19)29-22/h5-7,10-16,20,27H,2-4,8-9,17H2,1H3,(H,31,32)/b30-18+